Synthesis, spectral characterization and X-ray crystal structure studies of 3-(benzo [d][1, 3] dioxol-5-yl)-5-(3-methylthiophen-2-yl)-4, 5-dihydro-1H-pyrazole-1-carboxamide … K Kumara, AD Kumar, S Naveen, KA Kumar, NK Lokanath Journal of Molecular Structure 1161, 285-298, 2018 | 60 | 2018 |
Crystal structure studies and Hirshfeld surface analysis of 5-(4-methoxyphenyl)-3-(thiophen-2-yl)-4, 5-dihydro-1H-pyrazole-1-carbothioamide K Kumara, N Shivalingegowda, LD Mahadevaswamy, AK Kariyappa, ... Chemical Data Collections 9, 251-262, 2017 | 46 | 2017 |
Molecular structure, Hirshfeld surface and density functional theoretical analysis of a NLO active chalcone derivative single crystal—A quantum chemical approach C Shruthi, V Ravindrachary, B Guruswamy, DJ Prasad, J Goveas, ... Journal of Molecular Structure 1228, 129739, 2021 | 40 | 2021 |
Synthesis, spectral and X-ray crystal structure of 3-(3-methoxyphenyl)-5-(3-methylthiophen-2-yl)-4, 5-dihydro-1H-pyrazole-1-carboxamide: Hirshfeld surface, DFT calculations and … K Kumara, AD Kumar, KA Kumar, NK Lokanath Chemical Data Collections 13, 40-59, 2018 | 37 | 2018 |
Synthesis, crystal structure and 3D energy frameworks of ethyl 2-[5-nitro-2-oxopyridine-1 (2H)-yl] acetate: Hirshfeld surface analysis and DFT calculations K Kumara, FH Al-Ostoot, YHE Mohammed, SA Khanum, NK Lokanath Chemical Data Collections 20, 100195, 2019 | 32 | 2019 |
8-Hydroxyquinoline derived p-halo N4-phenyl substituted thiosemicarbazones: Crystal structures, spectral characterization and in vitro cytotoxic studies of their Co (III), Ni … A Kotian, V Kamat, K Naik, DG Kokare, K Kumara, KL Neratur, V Kumbar, ... Bioorganic Chemistry 112, 104962, 2021 | 31 | 2021 |
Square Planar trans‐N2O2 Cu(II) Complex: Synthesis, Crystal Structure, Hirshfeld Surface, DFT, Antimicrobial and Docking Studies AH Udaya Kumar, K Kumara, NV Harohally, KJ Pampa, NK Lokanath ChemistrySelect 6 (24), 6240-6255, 2021 | 28 | 2021 |
Design and synthesis of coumarin-triazole hybrids: biocompatible anti-diabetic agents, in silico molecular docking and ADME screening VC Basappa, VH Kameshwar, K Kumara, DK Achutha, ... Heliyon 6 (10), 2020 | 28 | 2020 |
XRD/DFT/HSA-interactions in Cu (II) Cl/phen/ß-diketonato complex: Physicochemical, solvatochromism, thermal and DNA-binding analysis MK Hema, I Warad, CS Karthik, A Zarrouk, K Kumara, KJ Pampa, P Mallu, ... Journal of Molecular Structure 1210, 128000, 2020 | 26 | 2020 |
Crystal structure studies, Hirshfeld surface analysis and DFT calculations of novel 1-[5-(4-methoxy-phenyl)-[1, 3, 4] oxadiazol-2-yl]-piperazine derivatives K Kumara, KP Harish, N Shivalingegowda, HC Tandon, KN Mohana, ... Chemical Data Collections 11, 40-58, 2017 | 25 | 2017 |
Synthesis, characterization, crystal structure, Hirshfeld surface analysis, antioxidant properties and DFT calculations of a novel pyrazole derivative: Ethyl 1-(2, 4 … S Naveen, K Kumara, AD Kumar, KA Kumar, A Zarrouk, I Warad, ... Journal of Molecular Structure 1226, 129350, 2021 | 24 | 2021 |
Design and Amberlyst-15 mediated synthesis of novel thienyl-pyrazole carboxamides that potently inhibit Phospholipase A2 by binding to an allosteric site on the enzyme AD Kumar, MG Prabhudeva, S Bharath, K Kumara, NK Lokanath, ... Bioorganic chemistry 80, 444-452, 2018 | 24 | 2018 |
Regular square planer bis-(4,4,4-trifluoro-1-(thiophen-2-yl)butane-1,3-dione)/copper(II) complex: Trans/cis-DFT isomerization, crystal structure, thermal … MK Hema, CS Karthik, I Warad, NK Lokanath, A Zarrouk, K Kumara, ... Journal of Molecular Structure 1157, 69-77, 2018 | 24 | 2018 |
Design, synthesis, characterization, and antioxidant activity studies of novel thienyl-pyrazoles K Kumara, MG Prabhudeva, CB Vagish, HK Vivek, KML Rai, NK Lokanath, ... Heliyon 7 (7), 2021 | 23 | 2021 |
Coumarin-triazole hybrids: Design, microwave-assisted synthesis, crystal and molecular structure, theoretical and computational studies and screening for their anticancer … CB Vagish, K Kumara, HK Vivek, S Bharath, NK Lokanath, KA Kumar Journal of Molecular Structure 1230, 129899, 2021 | 22 | 2021 |
Structural elucidation, theoretical insights and thermal properties of three novel multicomponent molecular forms of gallic acid with hydroxypyridines KL Jyothi, K Kumara, MK Hema, R Gautam, TNG Row, NK Lokanath Journal of Molecular Structure 1207, 127828, 2020 | 21 | 2020 |
Synthesis, characterization and hydrogen bonding attributes of halogen bonded O-hydroxy Schiff bases: Crystal structure, Hirshfeld surface analysis and DFT studies ALA Kala, K Kumara, NV Harohally, NK Lokanath Journal of Molecular Structure 1202, 127238, 2020 | 21 | 2020 |
Crystal interactions, computational, spectral and thermal analysis of (E)-N'-(thiophen-2-ylmethylene) isonicotinohydrazide as ONS-tridentate schiff base ligand I Warad, O Bsharat, S Tabti, A Djedouani, M Al-Nuri, N Al-Zaqri, K Kumara, ... Journal of Molecular Structure 1185, 290-299, 2019 | 19 | 2019 |
p-halo N4-phenyl substituted thiosemicarbazones: Crystal structure, supramolecular architecture, characterization and bio-assay of their Co (III) and Ni (II) complexes A Kotian, K Kumara, V Kamat, K Naik, DG Kokare, A Nevrekar, ... Journal of Molecular Structure 1156, 115-126, 2018 | 18 | 2018 |
[Dichlorido (2-(2-(1H-benzo [d] thiazol-2-yl) hydrazono) propan-1-ol) Cu (II)]: Crystal structure, Hirshfeld surface analysis and correlation of its ESI-MS behavior with … V Kamat, K Kumara, K Naik, A Kotian, P Netalkar, N Shivalingegowda, ... Journal of Molecular Structure 1149, 357-366, 2017 | 18 | 2017 |