Dr. Susanta K. Nayak

Brief Bio

Brief Bio
Dr. Susanta K. Nayak earned his MSc in Chemistry from Utkal University, Odisha, in 2003. He completed his PhD in Structural Chemistry at the Indian Institute of Science (IISc), Bangalore, in 2010. Following his doctorate, he served briefly as a Research Associate at IISc before moving to the Centre for Nano Science & Technology@Polimi, Istituto Italiano di Tecnologia (IIT), and NFMLab-DCMIC "Giulio Natta" at Politecnico di Milano, Italy, for postdoctoral research on ‘In situ cryocrystallography study of nanostructured materials for opto-electronic applications’ until September 2012. Subsequently, he was awarded the Marie Curie Research Fellowship (IIF) and worked at Université de Rennes 1, France, from October 2012 to September 2014 on ‘Luminescent hybrid nanomaterial showing liquid crystalline properties’. Dr. Nayak joined the Department of Chemistry at VNIT, Nagpur, as a faculty member in 2015. His research group at VNIT focuses on organic molecules, utilizing crystal engineering, supramolecular chemistry, and liquid crystals to study biological activity and material applications, along with establishing structure-property relationships through both experimental and theoretical approaches.

Dr. Susanta K. Nayak earned his MSc in Chemistry from Utkal University, Odisha, in 2003. He completed his PhD in Structural Chemistry at the Indian Institute of Science (IISc), Bangalore, in 2010. Following his doctorate, he served briefly as a Research Associate at IISc before moving to the Centre for Nano Science & Technology@Polimi, Istituto Italiano di Tecnologia (IIT), and NFMLab-DCMIC "Giulio Natta" at Politecnico di Milano, Italy, for postdoctoral research on ‘In situ cryocrystallography study of nanostructured materials for opto-electronic applications’ until September 2012. Subsequently, he was awarded the Marie Curie Research Fellowship (IIF) and worked at Université de Rennes 1, France, from October 2012 to September 2014 on ‘Luminescent hybrid nanomaterial showing liquid crystalline properties’. Dr. Nayak joined the Department of Chemistry at VNIT, Nagpur, as a faculty member in 2015. His research group at VNIT focuses on organic molecules, utilizing crystal engineering, supramolecular chemistry, and liquid crystals to study biological activity and material applications, along with establishing structure-property relationships through both experimental and theoretical approaches.

Education

Sr. No.	Degree	Year	Specialization	University
1	Ph.D.	2010	Chemistry	Indian Institute of Science (IISc) Bangalore
2	M.Sc.	2003	Chemistry	Utkal University, Orissa
3	B.Sc.	2001	Chemistry (Hons), Physics and Mathematics	Utkal University, Orissa
4

Contact Details

Phone:	Email:	Address:
Ph:+917122801610	E-mail: sknayak@chm.vnit.ac.in	Department of Chemistry, Visvesvaraya National Institute of Technology, (VNIT), Nagpur, South Ambazari Road, Maharashtra-440010, India

Research Interest

Research Interest
Crystal Engineering – Design and development of novel crystalline materials.
Pharmacologically Active Molecules – Synthesis and structural studies of bioactive compounds.
Structure–Property Correlation – Understanding how molecular and crystal structures influence physical and chemical properties.
Liquid Crystals, Organic Soft Materials, Metal–Organic & Hybrid Materials – Exploration and development of functional materials for optoelectronic applications.

Sr. No.	Title	Funding Agency	Role	Year	Amount (in Lakhs INR)
1	Halogen-bonded supramolecules showing liquid crystalline properties	Science and Engineering Research Board, India, Early Career Research (ECR) Award	PI	2017-2020	45.6
2	Development of Photo detector for low intensity light levels in UV/VIS/IR wavelength regions	ISRO (Indian Space Research Organisation), S-TIC programme	Co-PI	2022-2024	22
3	Design, Synthesis and Computational Analysis of Supramolecular Halogen Bonded Bent-core Azo-benzene Liquid Crystalline Systems for Photo-Responsive Property Study	Ministery of Education, India (under STARS-2 program)	PI	2023-2026	30

S.No.	Paper Citation
82	R. D. Nagdeve, P. K. Deb, K. T. Reang, G. Rakshit, S. Chandrashekharappa, P. K. Mondal, M. Polentarutti, R.M. Gleiser, O.I. Alwassil, R. Maharaj, K.N. Venugopala, V. Mohanlall, S.K. Nayak Larvicidal activity, molecular docking, and structural analysis of methoxyindolizine-1-carboxylate derivatives Journal of Molecular Structure, https://www.sciencedirect.com/science/article/pii/S0022286025015923,1344,142919,06-Jun-25
81	O. Dash, J. S. Thakur, P. K. Mondal, M. Polentarutti, S.K. Nayak “Evaluation of mesomorphic and photoresponsive behavior for the alkoxy cyano-azobenzene based side chain liquid crystalline polymers and their halogen bonded complexes” Journal of Molecular Liquids https://doi.org/10.1016/j.molliq.2025.127893, 433 127893 02-Jun-25
80	R.D. Nagdeve, J.S. Thakur, S. Chandrashekharappa, P.K. Mondal, P.K. Deb, M. Polentarutti, K.M. Bairagi, G. Rakshit, O.I. Alwassil, M. Pillay, K.N. Venugopala, and S. K. Nayak Structural Analysis, In Vitro Anti-tubercular Activities, and In Silico ADMET Evaluation of Ethyl 7-Methoxy-3-(4-Substituted Benzoyl) indolizine-1-carboxylates, CrystalEngComm (2025). https://doi.org/10.1039/D4CE01018C
79	J.S. Thakur, O. Dash, K.S. Ingle, K.B. Lahoti, A. Sudheendranath, N.A. Bhale, A.G. Dikundwar, S.K. Nayak, Photoresponsive Halogen-Bonded Complexes of 1, 3, 5-Trifluoro-2, 4, 6-triiodobenzene and Alkoxyazopyridine Derivatives Based on Py-N··· I Interactions: Synthesis, Structural, and Theoretical Insights Crystal Growth and Design 24(22) 9391-9402 2024 doi.org/10.1021/acs.cgd.4c00781
78	G. M. Satish, C. A. Taylor, S. J. Cowling, R. J. Gammons, A. C. Whitwood, J. S. Thakur, O. Dash, K. S. Ingle, S. K. Nayak* and Duncan W. Bruce* Re-evaluation of the Thermal Behavior of 2:1 Halogen-Bonded Complexes Formed between 4-Alkoxycyanobiphenyls and 1,4-Diiodotetrafluorobenzene, Crystal Growth and Design 24 (21) 8669–8673 2024 https://doi.org/10.1021/acs.cgd.4c01103
77	Rahul D Nagdeve, Jyoti Swarup Thakur, Sandeep Chandrashekharappa, Keshab M Bairagi, Pran Kishore Deb, Katharigatta N Venugopala, Pradip Kumar Mondal, Maurizio Polentarutti, Osama I Alwassil, Viresh Mohanlall, Susanta K Nayak Crystal structure, hydrogen bonding interactions, Hirshfeld surfaces, energy frameworks, and DFT calculation of Diethyl 3-(4-substitutedbenzoyl)indolizine-1,2-dicarboxylates, Journal of Molecular Structure 1308 138080 2024 doi.org/10.1016/j.molstruc.2024.138080, Journal of Molecular Structure 1308 138080 2024 doi.org/10.1016/j.molstruc.2024.138080
76	Kapil S Ingle, Jyoti Swarup Thakur, Nagesh A Bhale, Amol G Dikundwar, Susanta K Nayak Mesomorphic and computational evaluation of CN‧‧‧ I halogen bonded complexes of 4-alkoxy-4′-cyanobiphenyls systems with 1, 6-diiodoperfluorohexane, Journal of Molecular Structure 1291 135995 2023 https://doi.org/10.1016/j.molstruc.2023.135995
75	Andrea Daolio, Andrea Pizzi, Susanta K Nayak, Justyna Dominikowska, Giancarlo Terraneo, Pierangelo Metrangolo, Giuseppe Resnati Fluoride anions: Unexploited but effective halogen bond acceptors, Chemistry–An Asian Journal, 18 e202300520 2023 https://doi.org/10.1002/asia.202300520
74	Kapil S. Ingle, K. M. Bairagi1, Jyoti Swarup Thakur, Ranganathan Sathishkumar, Ramanaiah Chennuru, Bikash Baishya and Susanta K. Nayak, Synthesis, structural and theoretical analysis of C≡N ···I halogen bonded liquid crystalline complexes of 4-cyano-4′-alkoxy biphenyl systems, Crystal Growth & Design 23 1755-1767 2023 https://doi.org/10.1021/acs.cgd.2c01290
73	V. K. Rana, . Dinda, P. K. Mahapatra, D. Chopra, V. Bertolasi, K.M. Bairagi, S. K. Nayak, H. S. Das, S. Giri & G. Roymahapatra 2,2′-Bipyridyl Chelated Ru(II)-Annulated NHC Complex of 1-Methyl-2-Pyridin-2-Yl-2H-Imidazo[1,5-a]Pyridin-4-Ylidene:Synthesis, Structure, Optical Properties, and DFT Interpretation, Engineered Science, Vo. 17, pp.204-215, 2022, 2022 10.30919/es8d623
72	K. Jana, U. Pramanik, K. S. Ingle, R. Maity, S. Mukherjee, S. K.Nayak, S. Chandra Debnatha, T. S. Maity, B. C. Samanta Copper(II) complexes with NNN and NNO Schiff base ligands as efficient photodegradation agents for methylene blue, preferential BSA binder and biomaterial transplants Journal of Photochemistry and Photobiology A: Chemistry 422 113565 2022 https://doi.org/10.1016/j.jphotochem.2021.113565
71	Keshab M Bairagi, Kapil S Ingle, Rohit Bhowal, Smital A Mohurle, Avantika Hasija, Osama I Alwassil, Katharigatta N Venugopala, Deepak Chopra, Susanta K Nayak Interplay of Halogen and Hydrogen Bonding through Co–Crystallization in Pharmacologically Active Dihydropyrimidines: Insights from Crystal Structure and Energy Framework ChemPlusChem, Vol.86, pp. 1167-1176, 2021. 86 1167-1176 2021
70	K. N. Venugopala, S. Chandrashekharappa, C. Tratrat, P. K. Deb, R. D. Nagdeve, S. K. Nayak, M. A. Morsy, P. Borah, F. M. Mahomoodally, R. P. Mailavaram Crystallography, Molecular Modeling, and COX-2 Inhibition Studies on Indolizine Derivatives Molecules 26 3550 2021
69	Keshab M Bairagi, Nancy Safwat Younis, Promise Madu Emeka, Katharigatta N Venugopala, Osama I Alwassil, Hany Ezzat Khalil, Ekta Sangtani, Rajesh G Gonnade, Viresh Mohanlall, Susanta K Nayak Chemistry, anti-diabetic activity and structural analysis of substituted dihydropyrimidine analogues, Journal of Molecular Structure 1227 129412 2021
68	K. N. Venugopala, S. Chandrashekharappa, P. K. Deb, C. Tratrat, M. Pillay, D. Chopra, N. A. Al-Shar’i, W. Hourani, L. A. Dahabiyeh, P. Borah, R. D. Nagdeve, S. K. Nayak, B, Padmashali, M. A. Morsy, B. E. Aldhubiab Anti-tubercular activity and molecular docking studies of indolizine derivatives targeting mycobacterial InhA enzyme Journal of enzyme inhibition and medicinal chemistry 36 Vol. 36, pp.1472-1487, 2021.
67	Zouaoui Setifi, Néstor Cubillán, Christopher Glidewell, Susanta K Nayak, Miguel Morales-Toyo, Ruhollah Khajavian, Fatima Setifi, Masoud Mirzaei Analysis of supramolecular interactions directing crystal packing of a trans,trans,trans-[diaquabis(4-quinolin-3-yl)-4H-1,2,4-triazole)bis(tricyanomethanide)iron(II)] complex: A combination of XRD, MEP, NBO, QTAIM, and NCI analyses Journal of Molecular Structure 1228 129438. 2021
66	Keshab M Bairagi, Nancy S Younis, Promise M Emeka, Ekta Sangtani, Rajesh G Gonnade, Katharigatta N Venugopala, Osama I Alwassil, Hany E Khalil, Susanta K Nayak Antidiabetic Activity of Dihydropyrimidine Scaffolds and Structural Insight by Single Crystal X-ray Studies, Medicinal Chemistry 16, 996-1003 2020
65	Katharigatta N Venugopala, Omar HA Al-Attraqchi, Christophe Tratrat, Susanta K Nayak, Mohamed A Morsy, Bandar E Aldhubiab, Mahesh Attimarad, Anroop B Nair, Nagaraja Sreeharsha, Rashmi Venugopala, Michelyne Haroun, Meravanige B Girish, Sandeep Chandrashekharappa, Osama I Alwassil, Bharti Odhav Novel series of methyl 3-(substituted benzoyl)-7-substituted-2-phenylindolizine-1-carboxylates as promising anti-inflammatory agents: Molecular modeling studies, Biomolecules 9 661 2019
64	Keshab M Bairagi, Priyanka Pal, Subhrajyoti Bhandary, Katharigatta N Venugopala, Deepak Chopra, Susanta K Nayak Crystal structure of a 1: 1 cocrystal of nicotinamide with 2-chloro-5-nitrobenzoic acid, Acta Crysta E 75 1712-1718 2019
63	Osama I Alwassil, Sandeep Chandrashekharappa, Susanta K Nayak, Katharigatta N Venugopala Design, synthesis, and structural elucidation of novel NmeNANAS inhibitors for the treatment of meningococcal infection, Plos one, 14 e0223413 2019
62	Susanta K Nayak, Giancarlo Terraneo, Quirino Piacevoli, Federica Bertolotti, Patrick Scilabra, John T Brown, Sergiy V Rosokha, Giuseppe Resnati Molecular Bases for Anesthetic Agents: Halothane as a Halogen‐and Hydrogen‐Bond Donor, Angewandte Chemie International Edition 58 12456-12459 2019
61	Katharigatta N Venugopala, Mohammed A Khedr, Melendhran Pillay, Susanta K Nayak, Sandeep Chandrashekharappa, Bandar E Aldhubiab, Sree Harsha, Mahesh Attimard, Bharti Odhav Benzothiazole analogs as potential anti-TB agents: Computational input and molecular dynamics, Journal of Biomolecular Structure and Dynamics 37, Journal of Biomolecular Structure and Dynamics 37, 1830-1842 2019
60	Keshab M Bairagi, Katharigatta N Venugopala, Pradip Kumar Mondal, Raquel M Gleiser, Deepak Chopra, Daniel García, Bharti Odhav, Susanta K Nayak Larvicidal study of tetrahydropyrimidine scaffolds against Anopheles arabiensis and structural insight by single crystal X‐ray studies, Chemical Biology & Drug Design 92 1924-1932 2018
59	Sandeep Chandrashekharappa, Keshab M Bairagi, Mahendra K Mohan, Katharigatta N Venugopala, Susanta K Nayak Crystal structure and Hirshfeld surface analysis of diethyl 2-[4-(4-fluorophenyl)-2-methyl-4-oxobutan-2-yl] malonate, Acta Crysta E 74 1388-1391 2018
58	Keshab M Bairagi, Vipin BS Kumar, Subhrajyoti Bhandary, Katharigatta N Venugopala, Susanta K Nayak Structural analysis of 2-iodobenzamide and 2-iodo-N-phenylbenzamide, Acta Crysta E 74 1130-1133 2018
57	Rahul Shukla, Susanta K Nayak, Deepak Chopra, M Kishore Reddy, TN Guru Row Observation of 3D isostructurality in halogen substituted N-benzoyl-N-phenylbenzamides, Journal of Molecular Structure 1164 280-288 2018
56	Sandeep Chandrashekharappa, Keshab M Bairagi, Mahendra K Mohan, Viresh Mohanlall, Kabange Kasumbwe, Katharigatta N Venugopala, Susanta K Nayak Crystal structure of 1-[3, 5-bis (trifluoromethyl) phenyl]-2-bromoethan-1-one, Acta Crysta E 74 868-870 2018
55	Rahul Shukla, Susanta K Nayak, Deepak Chopra, M Kishore Reddy, Tayur N Guru Row Quantitative investigation of intermolecular interactions in dimorphs of 3-Chloro-N-(2-fluorophenyl) benzamide and 2-Iodo-N-(4-bromophenyl) benzamide, Journal of Chemical Sciences 130 1-11 2018
54	Sandeep Chandrashekharappa, Katharigatta N Venugopala, Susanta K Nayak, Raquel M Gleiser, Daniel A García, Hezekiel M Kumalo, Rashmi S Kulkarni, Fawzi M Mahomoodally, Rashmi Venugopala, Mahendra K Mohan, Bharti Odhav One-pot microwave assisted synthesis and structural elucidation of novel ethyl 3-substituted-7-methylindolizine-1-carboxylates with larvicidal activity against Anopheles arabiensis, Journal of Molecular Structure 1156 377-384 2018
53	F Camerel, F Kinloch, O Jeannin, M Robin, SK Nayak, E Jacques, KA Brylev, NG Naumov, Y Molard Ionic columnar clustomesogens: associations between anionic hexanuclear rhenium clusters and liquid crystalline triphenylene tethered imidazoliums, Dalton Transactions 47 10884-10896 2018
52	Aurore Gandubert, Maria Amela-Cortes, Susanta Kumar Nayak, Cristian Vicent, Cristelle Mériadec, Franck Artzner, Stéphane Cordier, Yann Molard Tailoring the self-assembling abilities of functional hybrid nanomaterials: from rod-like to disk-like clustomesogens based on a luminescent {Mo 6 Br 8} 4+ inorganic cluster core, Journal of Materials Chemistry C 7 2556-2564 2018
51	R. Chennuru, P. Muthudoss, S. Ramakrishnan, A. B. Mohammad, R. R. Chandra Babu, S. Mahapatra, S. K. Nayak* Preliminary studies on unusual polymorphs of thymine: Structural comparison with other nucleobases Journal of Molecular Structure 1120 86-99 2016
50	Keshab M Bairagi, Katharigatta N Venugopala, Pradip Kumar Mondal, Bharti Odhav, Susanta K Nayak Crystal structure of methyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-1, 2, 3, 4-tetrahydropyrimidine-5-carboxylate monohydrate, Acta Crysta E 72 1335-1338 2016
49	Susanta K. Nayak, M. Amela-Cortes, M. M. Neidhardt, S. Beardsworth, J. Kirres, M.Mansueto, S. Cordier, Sabine Laschat and Y. Molard Phosphorescent columnar hybrid materials containing polyionic inorganic nanoclusters, Chem. Commun. 52 3127-3130 2016
48	K. N. Venugopala, S. K. Nayak, R. M Gleiser, M. E Sanchez‐Borzone, D. A Garcia, B. Odhav Synthesis, polymorphism and insecticidal, activity of methyl 4‐(4‐chlorophenyl)‐8‐iodo‐2‐methyl‐6‐oxo‐1, 6‐dihydro‐4H‐pyrimido [2, 1‐b] quinazoline‐3‐Acarboxylate against nopheles, arabiensis mosquito Chemical Biology & Drug Design 88 88-96 2016
47	S. K. Nayak, M. Amela-Cortes, R. Claire, S. Cordier and Y. Molard From metallic cluster-based ceramics to nematichybrid liquid crystals:a double supramolecular approach Chem. Commun. 51 3774-3777 2015
46	Bai, S. P. Thomas, R. Kottokkaran, Susanta K. Nayak, P. C. Ramamurthy and T. N. Guru Row A donor-acceptor-donor structured organic conductor with S…S chalcogen bonding Cryst. Growth Des. 14 459-466 2014
45	V.Vasylyeva, S. K. Nayak, G. Terraneo, G. Cavallo, P. Metrangoloa and G. Resnatia Orthogonal halogen and hydrogen bonds involving a peptide bond model CrystEngComm 16 8102-8105 2014
44	37. M. Rissdörfer, K. N. Venugopala, Susanta K. Nayak, F. D. Badea Physicochemical, crystallography and DFT calculations on biologically active dihydropyrimidine analogues U.P.B. Sci. Bull., Series B 76 Iss. 3.2014
43	38. F. Bertolotti, G. Cavallo, P. Metrangolo, S. K. Nayak, G. Resnati, G. Terraneo C-Halogen∙∙∙O supramolecular synthons: In situ cryocrystallization of 1,2-dihalotetrafluoroethane/HMPA adducts Supramol. Chem. 25 718-727 2013
42	39. P. K. Ranjith, P. Rajeesh, K. R. Haridas, S. K. Nayak, T. N. Guru Row, R. Rishikesan , N. S. Kumari Design and synthesis of positional isomers of 5 and 6-bromo-1-[(phenyl)sulfonyl]-2-[(4-nitrophenoxy)methyl]-1H-benzimidazoles as possible antimicrobial and antitubercular agents Biorg. Med. Chem. Lett. 23 5228-5234 2013
41	40. K. N. Venugopala, M. Krishnappa, S. K. Nayak, B. K. Subrahmanya, J. P. Vaderapura, R. K. Chalannavar, R. M. Gleiser, B. Odhav Synthesis and antimosquito property of 2,6-substituted benzo[d]thiazole and 2,4-substituted benzo[d]thiazole analogues against Anopheles arabiensis Eur. J. Med. Chem. 65 295-303 2013
40	41. K. N. Venugopala, S. K. Nayak, B. Odhav 2-(Benzo[d]thiazol-2-ylmethoxy)-5-chlorophenyl)(4-chlorophenyl)methanone Acta Cryst. E 69 o1124 2013
39	42. K. N. Venugopala, S. K. Nayak, T. Govender, H. G. Kruger, G. E. M. Maguire “{2-[(1,3-Benzothiazol-2-yl)methoxy]-5-fluorophenyl}(4-chlorophenyl)methanone Acta Cryst. E 69 o1007-o1008 2013
38	43. K. N. Venugopala, S. K. Nayak, B. Odhav “{2-[(1,3-Benzothiazol-2-yl)methoxy]-5-bromophenyl}(phenyl)methanone Acta Cryst. E 69 o984 2013
37	44. K N. Venugopala, S. K. Nayak and B. Odhav 2-((4-Bromophenyl)amino)-6-(4-chlorophenyl)-5-(methoxycarbonyl)-4-methyl-3,6- dihydropyrimidin-1-ium chloride Acta Cryst. E 69 o518-o519 2013
36	45. V. K. Narayanaswamy, S. K. Nayak, M. Pillay, R. Prasanna, Y. M. Coovadia, B.Odhav Synthesis and antitubercular activity of 2-(substitutedphenyl⁄benzyl-amino)-6-(4-chlorophenyl)-5-(methoxycarbonyl)-4-methyl-3,6-dihydropyrimidin-1-ium chlorides Chem. Biol. Drug Design 81 219-227 2013
35	46. S. P. Thomas, R. Kaur, J. Kaur, R. Sankolli, S. K. Nayak and T. N. Guru Row The fifth solvatomorph of gallic acid with a supramolecular channel structure: Structural complexity and phase transitions J. mol. struct. 1032 88-92 2013
34	47. S. K. Nayak, S. B. Mallik, S. P. Kanaujia, K. Sekar, K. R. Ranganathan, V. Ananthalakshmi, G. Jeyaraman, S. S. Saralaya, K. Nagarajan and T. N. Guru Row Crystal structures and binding studies with cytochrome bc1 of atovaquones: Molecular basis for drug design CrystEngComm 15 4871-4884 2013
33	48. S. K. Nayak, K. N. Venugopala, B. Odhav Methyl 4-(4-chlorophenyl)-8-iodo-2-methyl-6-oxo-1,6-dihydro-4H-pyrimido-[2,1-b]quinazoline-3-carboxylate Acta Cryst. E 69 o123-o124 2013
32	49. S. K. Nayak, K. N. Venugopala, T. Govender, H. G. Kruger, G. E. M. Maguire “[2-(1,3-Benzothiazol-2-ylmethoxy)-5-bromophenyl](4-chloro-phenyl)methanone Acta Cryst. E 69 o70 2013
31	50. K. N. Venugopala, Susanta K. Nayak, T. Govender, H. G. Kruger, G. E. M. Maguire 2-(Benzo[d]thiazol-2yl-methoxy)-5-chlorophenyl)(phen-yl)methanone Acta Cryst. E 68 o3125 2012
30	51. K. N. Venugopala, S. K. Nayak, B. Odhav Methyl (E)-2-[(3-chloro-4-cyanophenyl)imino]-4-(4-chlorophenyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate Acta Cryst. E 68 o2977-o2978 2012
29	52. K. N. Venugopala, S. K. Nayak, B. Odhav Methyl 2,6-diphenyl-1-p-tolyl-4-(p-tolyl¬amino)-1,2,5,6-tetra-hydro¬pyridine-3-carboxyl¬ate Acta Cryst. E 68 o2392–o2393 2012
28	53. A. V. Jentzsch, D. Emery, J. Mareda, S. K. Nayak, Pierangelo Metrangolo, Giuseppe Resnati, N. Sakai and S. Matile Transmembrane anion transport mediated by halogen-bond donors Nature Communications 3 905 2012
27	54. R. P. Karuvalam, K. R. Haridas, S. K. Nayak, T. N. Guru Row, P. Rajeesh, R. Rishikesan, N. S. Kumari Design, synthesis of some new (2-aminothiazol-4-yl)methylester derivatives as possible antimicrobial and antitubercular agents Eur. J. Med. Chem 49 172-182 2012
26	55 S. K. Nayak, G. Terraneo, A. Forni, P. Metrangolo and G. Resnati C-Br∙∙∙O supramolecular synthon: In situ cryocrystallography of low melting halogen-bonded complexes CrystEngComm, 14 4259-4261 2012
25	56 S. K. Nayak, M. K. Reddy, D. Chopra and T. N. Guru Row Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides CrystEngComm 14 200-210 2012
24	57 A. Sharma, I. Reva, R. Fausto, S. Hesse, Z. Xue, M. A Suhm, S. K. Nayak, R. Sathishkumar, R. Pal and T. N Guru Row Conformation-changing aggregation in hydroxyacetone: a combined low-temperature FTIR, jet, and crystallographic study J. Am. Chem. Soc. 133 20194-20207 2011
23	58 S. K. Nayak, K. N. Venugopala, T. Govender, H. G. Kruger, G. E. M. Maguire, T. N. Guru Row Ethyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate Acta Cryst. E 67 o3069-o3070 2011
22	59 S. K. Nayak, K. N. Venugopala, T. Govender, H. G. Kruger, G. E. M. Maguire and T. N. Guru Row Ethyl6-methyl-2-sulfanylidene-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate Acta Cryst. E 67 o1559-o1560 2011
21	60 S. K. Nayak, M. K. Reddy, T. N. Guru Row and D. Chopra Role of Hetero-Halogen (F···X, X = Cl, Br and I) or Homo-Halogen(X···X, X = F, Cl, Br and I) Interactions in Substituted Benzanilides Cryst. Growth Des. 11 1578-1596 2011
20	61 S. K. Nayak, K. N. Venugopala, D. Chopra and T. N. Guru Row Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-t-carboxylates CrystEngcomm 13 591-605 2011
19	62 M. Basanagouda, S. K. Nayak, T. N. Guru Row and M. V. Kulkarni 4-Azido¬methyl-7-methyl-2-oxo-2H-chromene-6-sulfonyl azide Acta Cryst. E 66 02780 2010
18	63 V. B. Jadhav, S. K. Nayak, T. N. Guru Row and M. V. Kulakarni Synthesis, Structure and DNA cleavage studies of Coumarin analogues of tetrahydroisoquinoline and protoberberine alkaloids Eur. J. Med. Chem. 45 3575-3580 2010
17	64 S. Chandrasekhar, T. R. R. Naik, S. K. Nayak and T. N. Guru Row Crystal structure of an intermolecular 2:1 complex between adenine and thymine. Evidence for both Hoogsteen and “quasi- Watson-Crick” interactions Biorg. Med. Chem. Lett. 20 3530-3533 2010
16	65 R. A. Kusanur, M. V. Kulkarni, G. M. Kulkarni, S. K. Nayak, T. N. Guru Row, K. Ganesan, C. Sun Unusual Anisotropic Effects from 1, 3-Dipolar Cycloadducts of 4-Azidomethyl Coumarins J. Heterocyclic chem. 47 91-97 2010
15	66 S. K. Nayak, K. N. Venugopala, D. Chopra, Vasu, T. N. Guru Row Effect of substitution on molecular conformation & packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4tetrahydropyrimidine-5-carboxylates CrystEngComm 12, 1205-1216 2010
14	67 S. K. Nayak, R. Sathishkumar, and T. N. Guru Row Directing role of functional groups in selective generation of C-H∙∙∙π interactions: In situ cryocrystallographic studies on benzyl derivatives CrystEngcomm 12 3112-3118 2010
13	. K. Nayak, K. N. Venugopala, D. Chopra, T. Govender, H. G. Kruger, G. E. M. Maguire and T. N. Guru Row 2-(4-Chloro-3-nitrophenyl)- chlorophenyl)-1,3-thiazole Acta Cryst. E 65 o2611-02612 2009
12	S. K. Nayak, S. J. Prathapa and T. N. Guru Row In situ cryocrystallization of low melting chloro and bromo substituted anilines J. mol. struct. 935 156-160 2009
11	S. K. Nayak, K. N. Venugopala, D. Chopra, T. Govender, H. G. Kruger, G. E. M. Maguire and T. N. Guru Row Ethyl-4-(4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5- carboxylate monohydrate Acta Cryst. E 65 o2502 2009
10	S. K. Nayak, M. K. Reddy and T. N. Guru Row 4-Chloro-N-(3-chlorophenyl)benzamide Acta Cryst. E 65. o2434 2009
9	S. K. Nayak, K. N. Venugopala, D. Chopra, T. Govender, H. G. Kruger, G. E. M. Maguire and T. N. Guru Row Ethyl-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-Carboxylate Acta Cryst. E 65 o2518 2009
8	G. N. Manjunatha Reddy, S. K. Nayak, T. N. Guru Row and N. Suryaprakasha Proton NMR studies of dihalogenated phenyl benzamides: two-dimensional higher quantum methodologies Magn. Reson. Chem. ,47,684-692,2009
7	S. K. Nayak, S. Chandrasekhar, T. N. Guru Row Apparent shortening of the Csp3-Csp3 bond analysed via a variable-temperature X-ray diffraction study in racemic 1,1-binaphthalene-2,2-diyl diethyl bis(carbonate) Acta Cryst. C , 65, o222-0225, 2009
6	K. C. Mondal , O. Sengupta, P. Dutta, M. Seehra, S. K. Nayak, P. Mukherjee, Three-dimensional 3d–4f heterometallic polymers containing both azide and carboxylate as co-ligands Inorg. Chim. Acta 362, 1913-1917, 2009
5	M. Basanagouda, M. V. Kulkarni, S. K. Nayak and T. N. Guru Row Crystal Structure of 5,6-Benzo-4-[(4-methyl) phenoxymethyl]coumarin X-ray Structure Analysis Online 25 53-54 2009
4	S. Mahapatra, S. K. Nayak, G. Madras and T. N. Guru Row Microwave synthesis and photocatalytic activity of nano Lanthanide (Ce, Pr, and Nd) Orthovanadates Ind. Eng. Chem. Res. 47 6509-6516 2008
3	S. Mahapatra, S. K. Nayak, S. J. Prathapa, and T. N. Guru Row Anhydrous Adenine: Crystallization, structure and correlation with other Nucleobases Cryst. Growth Des. 8 1223-1225 2008
2	S. K. Nayak, S. Chandrasekhar, T. N. Guru Row, 1,1 ‘-binaphthalene-2,2 ‘- diyl hydrogen phosphate, Acta Cryst. E,64, o256, 2008
1	S. K. Nayak, A. Jena, Gururaj M. Neelgund, S. A. Shivashankar, T. N. Guru Row, Bis(tert-butyl-3-oxobutanoato)dipyridinenickel(II) benzene solvate, Acta Cryst. E 63, m1604, 2007

Description	Author(s)	Publisher	ISBN	Year
Book Chapter: Role of Fluorine in Weak Interactions in Co-crystals published by RSC “Pharmaceutical salts & co-crystals”. Chapter 3, 2012, 29-43., Royal Society of Chemistry (RSC)	S. Sunil, Susanta K. Nayak, V. R. Hathwar , D. Chopra, & T. N. Guru Row	Royal Society of Chemistry (RSC)	ISBN:978-1-84973-158-4	2012
Book Chapter : Intermolecular Interactions in In situ Cryocrystallized published by RSC “ Understanding Intermolecular Interactions in the Solid State : Approaches and Techniques.” Chapter 3, 2018, 98-129., Royal Society of Chemistry (RSC)	Dhananjay Dey, Susanta K Nayak, Deepak Chopra	Royal Society of Chemistry (RSC)	eISBN: 978-1-78801-516-5	2018

Sr. No.	Patent Title	Application No.	Date	Present Staus
1	(6-Methyl-4-Substitutedphenyl-2-Oxo/Thioxo-1, 2, 3, 4-Tetrahydropyrimidin-5-Yl)(Piperidin-1-Yl) Methanones As Antitubercular Agents by Katharigatta N Venugopala, Keshab M Bairagi, Pran Kishore Deb, Melendran Pillay, Mohamed A Morsy, Susanta K Nayak, Sandeep Chandrashekharappa, Osama I Alwassil	18367645	September 2023	US Patent: Patent Number:- 11912683 Awarded: 2024/2/27

Sr. No.	Title
1	“A One Week Training Program on Characterization usingsophisticated Instruments (STUTI-CSI-2022)”, under the scheme Synergistic Training program Utilizing the Scientific and Technological Infrastructure (STUTI), DST-India. This program is jointly organized by Visvesvaraya National Institute ofTechnology (VNIT), Nagpur (SPOKE) & National Institute of Technology, Warangal (HUB), supported by DST, India.Dr. Anupama Kumar & Dr. Susanta K. Nayak, 08-14th August, 2022
2	3rd Research Scholar’s Day , Dr.S. K. Nayak and Dr. T. V. Gupta, Feb. 8-9,2019
3	CEFMC, Dr.S. K. Nayak and Others June 19-20,2020
4	FTSMC-21, Dr.S. K. Nayak and Others, 3rd July 2021
5	ICA- Dr. S. K. Nayak, July 3, 2021
6	NSC51-2024, (upcoming plz check website)

Sr. No.	Responsibility	Institute	Role	Year
1	Ph.D. Coordinator	VNIT, Nagpur	Departmental Ph.D. Coordinator	Nov 2021- Continuing
2	Departmental T&P coordinator	VNIT, Nagpur	Departmental T&P coordinator	(July 2020- Continuing
3	Wardenship	VNIT, Nagpur	1st Year Btech Hostels	Jun 2022- continuing
4	MSc Admission Committee Member	VNIT, Nagpur	Departmental	2016 & 2017
5	Examination coordinator	VNIT, Nagpur	Departmental examination coordinator	Jun 2017-Jul 2020
6	Website Coordinator	VNIT, Nagpur	Departmennt Website	Jul 2016-Aug 2018)
7	Faculty Mentor	VNIT, Nagpur	Insitute	(2016-2017
8	NRIF	VNIT, Nagpur	Insitute	Jul 2017-Jul 2018
8	TEQIP Departmental Coordinator	VNIT, Nagpur	Insitute, Departmental acitivites	2017-2020
9	I-STEM, Nodal Officer	VNIT, Nagpur	Instiute I-STEM facility	2024

Sr. No.	Awards
1	Early Career Research (ECR) Award, Project entitled, “Halogen-bonded supramolecules showing liquid crystalline properties), (Project No. ECR/2016/001820; 45.6 Lakhs).Science and Engineering Research Board, India,25th Jan 2017- 24th Jan 2020
2	Marie Curie Research Fellowship (IIF), European Commission, 7th European Community Framework Programme
3	Postdoctoral Fellowship, Istituto Italiano di Tecnologia, Italy (2011-2012)
4	Senior Research Fellowship(SRF), CSIR, India (2007-2010)
5	Junior Research Fellowship (JRF), CSIR, India (qualified in June 2004)2005-2007
6	Best Poster Award, Solid state and structural chemistry (SSCU) Unit Day, IISc, Bangalore, 26th Nov. 2008.
7	Bronze Medal 2024 by the Indian Liquid Crystal Society (ILCS). This recognition highlights his exceptional contributions to Soft Matter Science, his unwavering academic excellence, and his impactful roles in teaching and research.He was awarded and deliver the Bronze Medal Award Lecture at the 31st National Conference on Liquid Crystals (NCLC-2024) at Navyug Science College, Surat, Gujarat, December 2024.

Sr. No.	Title	Funding Agency	Role	Year	Amount (in Lakhs INR)

S.No.	Paper Citation
82	R. D. Nagdeve, P. K. Deb, K. T. Reang, G. Rakshit, S. Chandrashekharappa, P. K. Mondal, M. Polentarutti, R.M. Gleiser, O.I. Alwassil, R. Maharaj, K.N. Venugopala, V. Mohanlall, S.K. Nayak Larvicidal activity, molecular docking, and structural analysis of methoxyindolizine-1-carboxylate derivatives Journal of Molecular Structure, https://www.sciencedirect.com/science/article/pii/S0022286025015923,1344,142919,06-Jun-25
81	O. Dash, J. S. Thakur, P. K. Mondal, M. Polentarutti, S.K. Nayak “Evaluation of mesomorphic and photoresponsive behavior for the alkoxy cyano-azobenzene based side chain liquid crystalline polymers and their halogen bonded complexes” Journal of Molecular Liquids https://doi.org/10.1016/j.molliq.2025.127893, 433 127893 02-Jun-25
80	R.D. Nagdeve, J.S. Thakur, S. Chandrashekharappa, P.K. Mondal, P.K. Deb, M. Polentarutti, K.M. Bairagi, G. Rakshit, O.I. Alwassil, M. Pillay, K.N. Venugopala, and S. K. Nayak Structural Analysis, In Vitro Anti-tubercular Activities, and In Silico ADMET Evaluation of Ethyl 7-Methoxy-3-(4-Substituted Benzoyl) indolizine-1-carboxylates, CrystalEngComm (2025). https://doi.org/10.1039/D4CE01018C
79	J.S. Thakur, O. Dash, K.S. Ingle, K.B. Lahoti, A. Sudheendranath, N.A. Bhale, A.G. Dikundwar, S.K. Nayak, Photoresponsive Halogen-Bonded Complexes of 1, 3, 5-Trifluoro-2, 4, 6-triiodobenzene and Alkoxyazopyridine Derivatives Based on Py-N··· I Interactions: Synthesis, Structural, and Theoretical Insights Crystal Growth and Design 24(22) 9391-9402 2024 doi.org/10.1021/acs.cgd.4c00781
78	G. M. Satish, C. A. Taylor, S. J. Cowling, R. J. Gammons, A. C. Whitwood, J. S. Thakur, O. Dash, K. S. Ingle, S. K. Nayak* and Duncan W. Bruce* Re-evaluation of the Thermal Behavior of 2:1 Halogen-Bonded Complexes Formed between 4-Alkoxycyanobiphenyls and 1,4-Diiodotetrafluorobenzene, Crystal Growth and Design 24 (21) 8669–8673 2024 https://doi.org/10.1021/acs.cgd.4c01103
77	Rahul D Nagdeve, Jyoti Swarup Thakur, Sandeep Chandrashekharappa, Keshab M Bairagi, Pran Kishore Deb, Katharigatta N Venugopala, Pradip Kumar Mondal, Maurizio Polentarutti, Osama I Alwassil, Viresh Mohanlall, Susanta K Nayak Crystal structure, hydrogen bonding interactions, Hirshfeld surfaces, energy frameworks, and DFT calculation of Diethyl 3-(4-substitutedbenzoyl)indolizine-1,2-dicarboxylates, Journal of Molecular Structure 1308 138080 2024 doi.org/10.1016/j.molstruc.2024.138080, Journal of Molecular Structure 1308 138080 2024 doi.org/10.1016/j.molstruc.2024.138080
76	Kapil S Ingle, Jyoti Swarup Thakur, Nagesh A Bhale, Amol G Dikundwar, Susanta K Nayak Mesomorphic and computational evaluation of CN‧‧‧ I halogen bonded complexes of 4-alkoxy-4′-cyanobiphenyls systems with 1, 6-diiodoperfluorohexane, Journal of Molecular Structure 1291 135995 2023 https://doi.org/10.1016/j.molstruc.2023.135995
75	Andrea Daolio, Andrea Pizzi, Susanta K Nayak, Justyna Dominikowska, Giancarlo Terraneo, Pierangelo Metrangolo, Giuseppe Resnati Fluoride anions: Unexploited but effective halogen bond acceptors, Chemistry–An Asian Journal, 18 e202300520 2023 https://doi.org/10.1002/asia.202300520
74	Kapil S. Ingle, K. M. Bairagi1, Jyoti Swarup Thakur, Ranganathan Sathishkumar, Ramanaiah Chennuru, Bikash Baishya and Susanta K. Nayak, Synthesis, structural and theoretical analysis of C≡N ···I halogen bonded liquid crystalline complexes of 4-cyano-4′-alkoxy biphenyl systems, Crystal Growth & Design 23 1755-1767 2023 https://doi.org/10.1021/acs.cgd.2c01290
73	V. K. Rana, . Dinda, P. K. Mahapatra, D. Chopra, V. Bertolasi, K.M. Bairagi, S. K. Nayak, H. S. Das, S. Giri & G. Roymahapatra 2,2′-Bipyridyl Chelated Ru(II)-Annulated NHC Complex of 1-Methyl-2-Pyridin-2-Yl-2H-Imidazo[1,5-a]Pyridin-4-Ylidene:Synthesis, Structure, Optical Properties, and DFT Interpretation, Engineered Science, Vo. 17, pp.204-215, 2022, 2022 10.30919/es8d623
72	K. Jana, U. Pramanik, K. S. Ingle, R. Maity, S. Mukherjee, S. K.Nayak, S. Chandra Debnatha, T. S. Maity, B. C. Samanta Copper(II) complexes with NNN and NNO Schiff base ligands as efficient photodegradation agents for methylene blue, preferential BSA binder and biomaterial transplants Journal of Photochemistry and Photobiology A: Chemistry 422 113565 2022 https://doi.org/10.1016/j.jphotochem.2021.113565
71	Keshab M Bairagi, Kapil S Ingle, Rohit Bhowal, Smital A Mohurle, Avantika Hasija, Osama I Alwassil, Katharigatta N Venugopala, Deepak Chopra, Susanta K Nayak Interplay of Halogen and Hydrogen Bonding through Co–Crystallization in Pharmacologically Active Dihydropyrimidines: Insights from Crystal Structure and Energy Framework ChemPlusChem, Vol.86, pp. 1167-1176, 2021. 86 1167-1176 2021
70	K. N. Venugopala, S. Chandrashekharappa, C. Tratrat, P. K. Deb, R. D. Nagdeve, S. K. Nayak, M. A. Morsy, P. Borah, F. M. Mahomoodally, R. P. Mailavaram Crystallography, Molecular Modeling, and COX-2 Inhibition Studies on Indolizine Derivatives Molecules 26 3550 2021
69	Keshab M Bairagi, Nancy Safwat Younis, Promise Madu Emeka, Katharigatta N Venugopala, Osama I Alwassil, Hany Ezzat Khalil, Ekta Sangtani, Rajesh G Gonnade, Viresh Mohanlall, Susanta K Nayak Chemistry, anti-diabetic activity and structural analysis of substituted dihydropyrimidine analogues, Journal of Molecular Structure 1227 129412 2021
68	K. N. Venugopala, S. Chandrashekharappa, P. K. Deb, C. Tratrat, M. Pillay, D. Chopra, N. A. Al-Shar’i, W. Hourani, L. A. Dahabiyeh, P. Borah, R. D. Nagdeve, S. K. Nayak, B, Padmashali, M. A. Morsy, B. E. Aldhubiab Anti-tubercular activity and molecular docking studies of indolizine derivatives targeting mycobacterial InhA enzyme Journal of enzyme inhibition and medicinal chemistry 36 Vol. 36, pp.1472-1487, 2021.
67	Zouaoui Setifi, Néstor Cubillán, Christopher Glidewell, Susanta K Nayak, Miguel Morales-Toyo, Ruhollah Khajavian, Fatima Setifi, Masoud Mirzaei Analysis of supramolecular interactions directing crystal packing of a trans,trans,trans-[diaquabis(4-quinolin-3-yl)-4H-1,2,4-triazole)bis(tricyanomethanide)iron(II)] complex: A combination of XRD, MEP, NBO, QTAIM, and NCI analyses Journal of Molecular Structure 1228 129438. 2021
66	Keshab M Bairagi, Nancy S Younis, Promise M Emeka, Ekta Sangtani, Rajesh G Gonnade, Katharigatta N Venugopala, Osama I Alwassil, Hany E Khalil, Susanta K Nayak Antidiabetic Activity of Dihydropyrimidine Scaffolds and Structural Insight by Single Crystal X-ray Studies, Medicinal Chemistry 16, 996-1003 2020
65	Katharigatta N Venugopala, Omar HA Al-Attraqchi, Christophe Tratrat, Susanta K Nayak, Mohamed A Morsy, Bandar E Aldhubiab, Mahesh Attimarad, Anroop B Nair, Nagaraja Sreeharsha, Rashmi Venugopala, Michelyne Haroun, Meravanige B Girish, Sandeep Chandrashekharappa, Osama I Alwassil, Bharti Odhav Novel series of methyl 3-(substituted benzoyl)-7-substituted-2-phenylindolizine-1-carboxylates as promising anti-inflammatory agents: Molecular modeling studies, Biomolecules 9 661 2019
64	Keshab M Bairagi, Priyanka Pal, Subhrajyoti Bhandary, Katharigatta N Venugopala, Deepak Chopra, Susanta K Nayak Crystal structure of a 1: 1 cocrystal of nicotinamide with 2-chloro-5-nitrobenzoic acid, Acta Crysta E 75 1712-1718 2019
63	Osama I Alwassil, Sandeep Chandrashekharappa, Susanta K Nayak, Katharigatta N Venugopala Design, synthesis, and structural elucidation of novel NmeNANAS inhibitors for the treatment of meningococcal infection, Plos one, 14 e0223413 2019
62	Susanta K Nayak, Giancarlo Terraneo, Quirino Piacevoli, Federica Bertolotti, Patrick Scilabra, John T Brown, Sergiy V Rosokha, Giuseppe Resnati Molecular Bases for Anesthetic Agents: Halothane as a Halogen‐and Hydrogen‐Bond Donor, Angewandte Chemie International Edition 58 12456-12459 2019
61	Katharigatta N Venugopala, Mohammed A Khedr, Melendhran Pillay, Susanta K Nayak, Sandeep Chandrashekharappa, Bandar E Aldhubiab, Sree Harsha, Mahesh Attimard, Bharti Odhav Benzothiazole analogs as potential anti-TB agents: Computational input and molecular dynamics, Journal of Biomolecular Structure and Dynamics 37, Journal of Biomolecular Structure and Dynamics 37, 1830-1842 2019
60	Keshab M Bairagi, Katharigatta N Venugopala, Pradip Kumar Mondal, Raquel M Gleiser, Deepak Chopra, Daniel García, Bharti Odhav, Susanta K Nayak Larvicidal study of tetrahydropyrimidine scaffolds against Anopheles arabiensis and structural insight by single crystal X‐ray studies, Chemical Biology & Drug Design 92 1924-1932 2018
59	Sandeep Chandrashekharappa, Keshab M Bairagi, Mahendra K Mohan, Katharigatta N Venugopala, Susanta K Nayak Crystal structure and Hirshfeld surface analysis of diethyl 2-[4-(4-fluorophenyl)-2-methyl-4-oxobutan-2-yl] malonate, Acta Crysta E 74 1388-1391 2018
58	Keshab M Bairagi, Vipin BS Kumar, Subhrajyoti Bhandary, Katharigatta N Venugopala, Susanta K Nayak Structural analysis of 2-iodobenzamide and 2-iodo-N-phenylbenzamide, Acta Crysta E 74 1130-1133 2018
57	Rahul Shukla, Susanta K Nayak, Deepak Chopra, M Kishore Reddy, TN Guru Row Observation of 3D isostructurality in halogen substituted N-benzoyl-N-phenylbenzamides, Journal of Molecular Structure 1164 280-288 2018
56	Sandeep Chandrashekharappa, Keshab M Bairagi, Mahendra K Mohan, Viresh Mohanlall, Kabange Kasumbwe, Katharigatta N Venugopala, Susanta K Nayak Crystal structure of 1-[3, 5-bis (trifluoromethyl) phenyl]-2-bromoethan-1-one, Acta Crysta E 74 868-870 2018
55	Rahul Shukla, Susanta K Nayak, Deepak Chopra, M Kishore Reddy, Tayur N Guru Row Quantitative investigation of intermolecular interactions in dimorphs of 3-Chloro-N-(2-fluorophenyl) benzamide and 2-Iodo-N-(4-bromophenyl) benzamide, Journal of Chemical Sciences 130 1-11 2018
54	Sandeep Chandrashekharappa, Katharigatta N Venugopala, Susanta K Nayak, Raquel M Gleiser, Daniel A García, Hezekiel M Kumalo, Rashmi S Kulkarni, Fawzi M Mahomoodally, Rashmi Venugopala, Mahendra K Mohan, Bharti Odhav One-pot microwave assisted synthesis and structural elucidation of novel ethyl 3-substituted-7-methylindolizine-1-carboxylates with larvicidal activity against Anopheles arabiensis, Journal of Molecular Structure 1156 377-384 2018
53	F Camerel, F Kinloch, O Jeannin, M Robin, SK Nayak, E Jacques, KA Brylev, NG Naumov, Y Molard Ionic columnar clustomesogens: associations between anionic hexanuclear rhenium clusters and liquid crystalline triphenylene tethered imidazoliums, Dalton Transactions 47 10884-10896 2018
52	Aurore Gandubert, Maria Amela-Cortes, Susanta Kumar Nayak, Cristian Vicent, Cristelle Mériadec, Franck Artzner, Stéphane Cordier, Yann Molard Tailoring the self-assembling abilities of functional hybrid nanomaterials: from rod-like to disk-like clustomesogens based on a luminescent {Mo 6 Br 8} 4+ inorganic cluster core, Journal of Materials Chemistry C 7 2556-2564 2018
51	R. Chennuru, P. Muthudoss, S. Ramakrishnan, A. B. Mohammad, R. R. Chandra Babu, S. Mahapatra, S. K. Nayak* Preliminary studies on unusual polymorphs of thymine: Structural comparison with other nucleobases Journal of Molecular Structure 1120 86-99 2016
50	Keshab M Bairagi, Katharigatta N Venugopala, Pradip Kumar Mondal, Bharti Odhav, Susanta K Nayak Crystal structure of methyl 4-(4-hydroxyphenyl)-6-methyl-2-oxo-1, 2, 3, 4-tetrahydropyrimidine-5-carboxylate monohydrate, Acta Crysta E 72 1335-1338 2016
49	Susanta K. Nayak, M. Amela-Cortes, M. M. Neidhardt, S. Beardsworth, J. Kirres, M.Mansueto, S. Cordier, Sabine Laschat and Y. Molard Phosphorescent columnar hybrid materials containing polyionic inorganic nanoclusters, Chem. Commun. 52 3127-3130 2016
48	K. N. Venugopala, S. K. Nayak, R. M Gleiser, M. E Sanchez‐Borzone, D. A Garcia, B. Odhav Synthesis, polymorphism and insecticidal, activity of methyl 4‐(4‐chlorophenyl)‐8‐iodo‐2‐methyl‐6‐oxo‐1, 6‐dihydro‐4H‐pyrimido [2, 1‐b] quinazoline‐3‐Acarboxylate against nopheles, arabiensis mosquito Chemical Biology & Drug Design 88 88-96 2016
47	S. K. Nayak, M. Amela-Cortes, R. Claire, S. Cordier and Y. Molard From metallic cluster-based ceramics to nematichybrid liquid crystals:a double supramolecular approach Chem. Commun. 51 3774-3777 2015
46	Bai, S. P. Thomas, R. Kottokkaran, Susanta K. Nayak, P. C. Ramamurthy and T. N. Guru Row A donor-acceptor-donor structured organic conductor with S…S chalcogen bonding Cryst. Growth Des. 14 459-466 2014
45	V.Vasylyeva, S. K. Nayak, G. Terraneo, G. Cavallo, P. Metrangoloa and G. Resnatia Orthogonal halogen and hydrogen bonds involving a peptide bond model CrystEngComm 16 8102-8105 2014
44	37. M. Rissdörfer, K. N. Venugopala, Susanta K. Nayak, F. D. Badea Physicochemical, crystallography and DFT calculations on biologically active dihydropyrimidine analogues U.P.B. Sci. Bull., Series B 76 Iss. 3.2014
43	38. F. Bertolotti, G. Cavallo, P. Metrangolo, S. K. Nayak, G. Resnati, G. Terraneo C-Halogen∙∙∙O supramolecular synthons: In situ cryocrystallization of 1,2-dihalotetrafluoroethane/HMPA adducts Supramol. Chem. 25 718-727 2013
42	39. P. K. Ranjith, P. Rajeesh, K. R. Haridas, S. K. Nayak, T. N. Guru Row, R. Rishikesan , N. S. Kumari Design and synthesis of positional isomers of 5 and 6-bromo-1-[(phenyl)sulfonyl]-2-[(4-nitrophenoxy)methyl]-1H-benzimidazoles as possible antimicrobial and antitubercular agents Biorg. Med. Chem. Lett. 23 5228-5234 2013
41	40. K. N. Venugopala, M. Krishnappa, S. K. Nayak, B. K. Subrahmanya, J. P. Vaderapura, R. K. Chalannavar, R. M. Gleiser, B. Odhav Synthesis and antimosquito property of 2,6-substituted benzo[d]thiazole and 2,4-substituted benzo[d]thiazole analogues against Anopheles arabiensis Eur. J. Med. Chem. 65 295-303 2013
40	41. K. N. Venugopala, S. K. Nayak, B. Odhav 2-(Benzo[d]thiazol-2-ylmethoxy)-5-chlorophenyl)(4-chlorophenyl)methanone Acta Cryst. E 69 o1124 2013
39	42. K. N. Venugopala, S. K. Nayak, T. Govender, H. G. Kruger, G. E. M. Maguire “{2-[(1,3-Benzothiazol-2-yl)methoxy]-5-fluorophenyl}(4-chlorophenyl)methanone Acta Cryst. E 69 o1007-o1008 2013
38	43. K. N. Venugopala, S. K. Nayak, B. Odhav “{2-[(1,3-Benzothiazol-2-yl)methoxy]-5-bromophenyl}(phenyl)methanone Acta Cryst. E 69 o984 2013
37	44. K N. Venugopala, S. K. Nayak and B. Odhav 2-((4-Bromophenyl)amino)-6-(4-chlorophenyl)-5-(methoxycarbonyl)-4-methyl-3,6- dihydropyrimidin-1-ium chloride Acta Cryst. E 69 o518-o519 2013
36	45. V. K. Narayanaswamy, S. K. Nayak, M. Pillay, R. Prasanna, Y. M. Coovadia, B.Odhav Synthesis and antitubercular activity of 2-(substitutedphenyl⁄benzyl-amino)-6-(4-chlorophenyl)-5-(methoxycarbonyl)-4-methyl-3,6-dihydropyrimidin-1-ium chlorides Chem. Biol. Drug Design 81 219-227 2013
35	46. S. P. Thomas, R. Kaur, J. Kaur, R. Sankolli, S. K. Nayak and T. N. Guru Row The fifth solvatomorph of gallic acid with a supramolecular channel structure: Structural complexity and phase transitions J. mol. struct. 1032 88-92 2013
34	47. S. K. Nayak, S. B. Mallik, S. P. Kanaujia, K. Sekar, K. R. Ranganathan, V. Ananthalakshmi, G. Jeyaraman, S. S. Saralaya, K. Nagarajan and T. N. Guru Row Crystal structures and binding studies with cytochrome bc1 of atovaquones: Molecular basis for drug design CrystEngComm 15 4871-4884 2013
33	48. S. K. Nayak, K. N. Venugopala, B. Odhav Methyl 4-(4-chlorophenyl)-8-iodo-2-methyl-6-oxo-1,6-dihydro-4H-pyrimido-[2,1-b]quinazoline-3-carboxylate Acta Cryst. E 69 o123-o124 2013
32	49. S. K. Nayak, K. N. Venugopala, T. Govender, H. G. Kruger, G. E. M. Maguire “[2-(1,3-Benzothiazol-2-ylmethoxy)-5-bromophenyl](4-chloro-phenyl)methanone Acta Cryst. E 69 o70 2013
31	50. K. N. Venugopala, Susanta K. Nayak, T. Govender, H. G. Kruger, G. E. M. Maguire 2-(Benzo[d]thiazol-2yl-methoxy)-5-chlorophenyl)(phen-yl)methanone Acta Cryst. E 68 o3125 2012
30	51. K. N. Venugopala, S. K. Nayak, B. Odhav Methyl (E)-2-[(3-chloro-4-cyanophenyl)imino]-4-(4-chlorophenyl)-6-methyl-1,2,3,4-tetrahydropyrimidine-5-carboxylate Acta Cryst. E 68 o2977-o2978 2012
29	52. K. N. Venugopala, S. K. Nayak, B. Odhav Methyl 2,6-diphenyl-1-p-tolyl-4-(p-tolyl¬amino)-1,2,5,6-tetra-hydro¬pyridine-3-carboxyl¬ate Acta Cryst. E 68 o2392–o2393 2012
28	53. A. V. Jentzsch, D. Emery, J. Mareda, S. K. Nayak, Pierangelo Metrangolo, Giuseppe Resnati, N. Sakai and S. Matile Transmembrane anion transport mediated by halogen-bond donors Nature Communications 3 905 2012
27	54. R. P. Karuvalam, K. R. Haridas, S. K. Nayak, T. N. Guru Row, P. Rajeesh, R. Rishikesan, N. S. Kumari Design, synthesis of some new (2-aminothiazol-4-yl)methylester derivatives as possible antimicrobial and antitubercular agents Eur. J. Med. Chem 49 172-182 2012
26	55 S. K. Nayak, G. Terraneo, A. Forni, P. Metrangolo and G. Resnati C-Br∙∙∙O supramolecular synthon: In situ cryocrystallography of low melting halogen-bonded complexes CrystEngComm, 14 4259-4261 2012
25	56 S. K. Nayak, M. K. Reddy, D. Chopra and T. N. Guru Row Evaluation of the role of disordered organic fluorine in crystal packing: insights from halogen substituted benzanilides CrystEngComm 14 200-210 2012
24	57 A. Sharma, I. Reva, R. Fausto, S. Hesse, Z. Xue, M. A Suhm, S. K. Nayak, R. Sathishkumar, R. Pal and T. N Guru Row Conformation-changing aggregation in hydroxyacetone: a combined low-temperature FTIR, jet, and crystallographic study J. Am. Chem. Soc. 133 20194-20207 2011
23	58 S. K. Nayak, K. N. Venugopala, T. Govender, H. G. Kruger, G. E. M. Maguire, T. N. Guru Row Ethyl-4-(1,3-benzodioxol-5-yl)-6-methyl-2-sulfanylidene-1,2,3,4-tetrahydropyrimidine-5-carboxylate Acta Cryst. E 67 o3069-o3070 2011
22	59 S. K. Nayak, K. N. Venugopala, T. Govender, H. G. Kruger, G. E. M. Maguire and T. N. Guru Row Ethyl6-methyl-2-sulfanylidene-4-[4-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydropyrimidine-5-carboxylate Acta Cryst. E 67 o1559-o1560 2011
21	60 S. K. Nayak, M. K. Reddy, T. N. Guru Row and D. Chopra Role of Hetero-Halogen (F···X, X = Cl, Br and I) or Homo-Halogen(X···X, X = F, Cl, Br and I) Interactions in Substituted Benzanilides Cryst. Growth Des. 11 1578-1596 2011
20	61 S. K. Nayak, K. N. Venugopala, D. Chopra and T. N. Guru Row Insights into conformational and packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-oxo-1,2,3,4-tetrahydropyrimidine-t-carboxylates CrystEngcomm 13 591-605 2011
19	62 M. Basanagouda, S. K. Nayak, T. N. Guru Row and M. V. Kulkarni 4-Azido¬methyl-7-methyl-2-oxo-2H-chromene-6-sulfonyl azide Acta Cryst. E 66 02780 2010
18	63 V. B. Jadhav, S. K. Nayak, T. N. Guru Row and M. V. Kulakarni Synthesis, Structure and DNA cleavage studies of Coumarin analogues of tetrahydroisoquinoline and protoberberine alkaloids Eur. J. Med. Chem. 45 3575-3580 2010
17	64 S. Chandrasekhar, T. R. R. Naik, S. K. Nayak and T. N. Guru Row Crystal structure of an intermolecular 2:1 complex between adenine and thymine. Evidence for both Hoogsteen and “quasi- Watson-Crick” interactions Biorg. Med. Chem. Lett. 20 3530-3533 2010
16	65 R. A. Kusanur, M. V. Kulkarni, G. M. Kulkarni, S. K. Nayak, T. N. Guru Row, K. Ganesan, C. Sun Unusual Anisotropic Effects from 1, 3-Dipolar Cycloadducts of 4-Azidomethyl Coumarins J. Heterocyclic chem. 47 91-97 2010
15	66 S. K. Nayak, K. N. Venugopala, D. Chopra, Vasu, T. N. Guru Row Effect of substitution on molecular conformation & packing features in a series of aryl substituted ethyl-6-methyl-4-phenyl-2-thioxo-1,2,3,4tetrahydropyrimidine-5-carboxylates CrystEngComm 12, 1205-1216 2010
14	67 S. K. Nayak, R. Sathishkumar, and T. N. Guru Row Directing role of functional groups in selective generation of C-H∙∙∙π interactions: In situ cryocrystallographic studies on benzyl derivatives CrystEngcomm 12 3112-3118 2010
13	. K. Nayak, K. N. Venugopala, D. Chopra, T. Govender, H. G. Kruger, G. E. M. Maguire and T. N. Guru Row 2-(4-Chloro-3-nitrophenyl)- chlorophenyl)-1,3-thiazole Acta Cryst. E 65 o2611-02612 2009
12	S. K. Nayak, S. J. Prathapa and T. N. Guru Row In situ cryocrystallization of low melting chloro and bromo substituted anilines J. mol. struct. 935 156-160 2009
11	S. K. Nayak, K. N. Venugopala, D. Chopra, T. Govender, H. G. Kruger, G. E. M. Maguire and T. N. Guru Row Ethyl-4-(4-hydroxyphenyl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5- carboxylate monohydrate Acta Cryst. E 65 o2502 2009
10	S. K. Nayak, M. K. Reddy and T. N. Guru Row 4-Chloro-N-(3-chlorophenyl)benzamide Acta Cryst. E 65. o2434 2009
9	S. K. Nayak, K. N. Venugopala, D. Chopra, T. Govender, H. G. Kruger, G. E. M. Maguire and T. N. Guru Row Ethyl-4-(4-chlorophenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-Carboxylate Acta Cryst. E 65 o2518 2009
8	G. N. Manjunatha Reddy, S. K. Nayak, T. N. Guru Row and N. Suryaprakasha Proton NMR studies of dihalogenated phenyl benzamides: two-dimensional higher quantum methodologies Magn. Reson. Chem. ,47,684-692,2009
7	S. K. Nayak, S. Chandrasekhar, T. N. Guru Row Apparent shortening of the Csp3-Csp3 bond analysed via a variable-temperature X-ray diffraction study in racemic 1,1-binaphthalene-2,2-diyl diethyl bis(carbonate) Acta Cryst. C , 65, o222-0225, 2009
6	K. C. Mondal , O. Sengupta, P. Dutta, M. Seehra, S. K. Nayak, P. Mukherjee, Three-dimensional 3d–4f heterometallic polymers containing both azide and carboxylate as co-ligands Inorg. Chim. Acta 362, 1913-1917, 2009
5	M. Basanagouda, M. V. Kulkarni, S. K. Nayak and T. N. Guru Row Crystal Structure of 5,6-Benzo-4-[(4-methyl) phenoxymethyl]coumarin X-ray Structure Analysis Online 25 53-54 2009
4	S. Mahapatra, S. K. Nayak, G. Madras and T. N. Guru Row Microwave synthesis and photocatalytic activity of nano Lanthanide (Ce, Pr, and Nd) Orthovanadates Ind. Eng. Chem. Res. 47 6509-6516 2008
3	S. Mahapatra, S. K. Nayak, S. J. Prathapa, and T. N. Guru Row Anhydrous Adenine: Crystallization, structure and correlation with other Nucleobases Cryst. Growth Des. 8 1223-1225 2008
2	S. K. Nayak, S. Chandrasekhar, T. N. Guru Row, 1,1 ‘-binaphthalene-2,2 ‘- diyl hydrogen phosphate, Acta Cryst. E,64, o256, 2008
1	S. K. Nayak, A. Jena, Gururaj M. Neelgund, S. A. Shivashankar, T. N. Guru Row, Bis(tert-butyl-3-oxobutanoato)dipyridinenickel(II) benzene solvate, Acta Cryst. E 63, m1604, 2007