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| Vol 8, No 4 (2017): December 2017 |
Molecular self-assembly in indole-based benzamide derivative: Crystal structure, Hirshfeld surfaces and antimicrobial activity |
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Ilkay Gumus, Ummuhan Solmaz, Serpil Gonca, Hakan Arslan |
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| Vol 12, No 1 (2021): March 2021 |
Synthesis and detailed characterization of a newly synthesized chalcone, 3-(2,5-dimethoxyphenyl)-1-(naphthalen-2-yl)prop-2-en-1-one |
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Madhu Kumar Dogganal Jayappa, Prabhuswamy Akhileshwari, Mandayam Anandalwar Sridhar, Lohith Tumakuru Nagarajappa, Shivegowda Nagaraju, Subrayachar Raghavendra, Manasa Dogganal Jayappa |
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| Vol 11, No 4 (2020): December 2020 |
Regiospecific substitution of the β-vinylic sp2 carbon of cyclohexenones bearing the α-chloro- and β-tosylate-groups: Single crystal XRD/Hirshfeld surface/in-silico studies of three representative compounds |
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Arkalgud Satyanarayana Jeevan Chakravart, Suresh Hari Prasad |
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| Vol 8, No 4 (2017): December 2017 |
N-(Dibenzylcarbamothioyl)-3-methylbutanamide: Crystal structure, Hirshfeld surfaces and antimicrobial activity |
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Ilkay Gumus, Serpil Gonca, Birdal Arslan, Ebru Keskin, Ummuhan Solmaz, Hakan Arslan |
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| Vol 12, No 4 (2021): December 2021 |
X-ray diffraction and Density Functional Theory based structural analyses of 2-phenyl-4-(prop-2-yn-1-yl)-1,2,4-triazolone |
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Shilpa Mallappa Somagond, Ahmedraza Mavazzan, Suresh Fakkirappa Madar, Madivalagouda Sannaikar, Shankar Madan Kumar, Sanjeev Ramchandra Inamdar, Aravind Raviraj Nesaragi, Jagadeesh Prasad Dasappa, Ravindra Ramappa Kamble |
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| Vol 13, No 3 (2022): September 2022 |
A new hydrazide functionalized Schiff’s base derivative: Insights into crystallography, Hirshfeld surface, and energy framework analysis |
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Vivek Prakash Malviya, Archisman Dutta |
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| Vol 8, No 4 (2017): December 2017 |
Synthesis, single crystal X-ray diffraction, Hirshfeld surface and biological activity of quinolone derivatives |
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Huma Bano, Sarah Shafi, Hina Siddiqui, Muhammad Iqbal Choudhary, Sammer Yousuf |
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| Vol 11, No 1 (2020): March 2020 |
Hydrogen bonding framework in imidazole derivatives: Crystal structure and Hirshfeld surface analysis |
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Praveen Singh, Ranjeet Kumar, Ashish Kumar Tewari |
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| Vol 12, No 3 (2021): September 2021 |
Synthesis, crystal structure elucidation, Hirshfeld surface analysis, 3D energy frameworks and DFT studies of 2-(4-fluorophenoxy) acetic acid |
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Akhileshwari Prabhuswamy, Yasser Hussein Eissa Mohammed, Fares Hezam Al-Ostoot, Geetha Doddanahalli Venkatesh, Sridhar Mandayam Anandalwar, Shaukath Ara Khanum, Lokanath Neratur Krishnappagowda |
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| Vol 12, No 4 (2021): December 2021 |
Crystal structure, Hirshfeld surface analysis, and DFT studies of N-(2-chlorophenylcarbamothioyl)cyclohexanecarboxamide |
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Cemal Koray Ozer, Ummuhan Solmaz, Hakan Arslan |
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| Vol 12, No 4 (2021): December 2021 |
Crystal structure, Hirshfeld surface, and DFT studies of 4-((pyrrolidin-1-ylsulfonyl)methyl)aniline |
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Soundararajan Krishnan, Thanigaimani Kaliyaperumal, Ramalingam Marimuthu, Sethuraman Velusamy |
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| Vol 13, No 4 (2022): December 2022 |
Crystal structure, in silico molecular docking, DFT analysis and ADMET studies of N-(2-methoxy-benzyl)-acetamide |
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Suganya Murugan, Prasanth Gunasekaran, Jayasudha Nehru, Anaglit Catherine Paul, Necmi Dege, Emine Berrin Cinar, Savaridasson Jose Kavitha, Kasthuri Balasubramani, Kaliyaperumal Thanigaimani, Venkatachalam Rajakannan, Madhukar Hemamalini |
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| Vol 12, No 4 (2021): December 2021 |
Synthesis, crystal structure, DFT studies, and Hirshfeld surface analysis of N,N'-bis(3-quinolyl-methylene)diphenylethanedione dihydrazone |
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Goutam Kumar Patra, Amit Kumar Manna, Dinesh De |
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| Vol 13, No 1 (2022): March 2022 |
Synthesis, crystal structure, Hirshfeld surface analysis, and DFT studies on (2,2’-bipyridine)chlorobis(N,N-bis(thiophen-2-ylmethyl)dithiocarbamato-S,S’)zinc(II) complex |
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Soundararajan Eswari, Subbiah Thirumaran |
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| Vol 10, No 4 (2019): December 2019 |
Vibrational spectroscopic and Hirshfeld surface analysis of N,N'-(azanediylbis(2,1-phenylene))bis(2-chloropropanamide) |
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Aysegul Suzan Polat, Ilkay Gumus, Hakan Arslan |
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| Vol 10, No 4 (2019): December 2019 |
Hirshfeld surface and theoretical studies of 2,2,2-trichloro-N,N-bis(2-(2,2,2-trichloroacetamido)phenyl)acetamide compound |
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Immihan Sezen Aydogdu, Ilkay Gumus, Hakan Arslan |
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| Vol 13, No 1 (2022): March 2022 |
Synthesis, crystal structure, DFT studies, and Hirshfeld surface analysis of 2,2'-(((methylene-bis(4,1-phenylene))bis(azanylylidene))bis(methanylylidene))diphenol |
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Goutam Kumar Patra, Dinesh De |
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| Vol 9, No 4 (2018): December 2018 |
Crystal structure and Hirshfeld surface analysis of methyl 1-(2,4-dichlorobenzyl)-5-methyl-1H-pyrazole-3-carboxylate |
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Abdullah Aydin, Mehmet Akkurt, Zehra Tugce Gur, Erden Banoglu |
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| Vol 12, No 4 (2021): December 2021 |
Crystal structure and computational studies of N-((2-ethoxynaphthalen-1-yl)methylene)-4-fluoroaniline |
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Sehriman Atalay, Mustafa Macit, Hakan Bulbul |
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| Vol 12, No 4 (2021): December 2021 |
Synthesis, X-ray crystal structure, Hirshfeld surface analysis, and molecular docking studies of DMSO/H2O solvate of 5-chlorospiro[indoline-3,7'-pyrano[3,2-c:5,6-c']dichromene]-2,6',8'-trione |
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Varun Sharma, Bubun Banerjee, Aditi Sharma, Vivek Kumar Gupta |
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