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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 Abstract  PDF
Ilkay Gumus, Ummuhan Solmaz, Serpil Gonca, Hakan Arslan
 
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 Abstract  PDF
Madhu Kumar Dogganal Jayappa, Prabhuswamy Akhileshwari, Mandayam Anandalwar Sridhar, Lohith Tumakuru Nagarajappa, Shivegowda Nagaraju, Subrayachar Raghavendra, Manasa Dogganal Jayappa
 
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 Abstract  PDF
Arkalgud Satyanarayana Jeevan Chakravart, Suresh Hari Prasad
 
Vol 11, No 1 (2020): March 2020 Hydrogen bonding framework in imidazole derivatives: Crystal structure and Hirshfeld surface analysis Abstract  PDF
Praveen Singh, Ranjeet Kumar, Ashish Kumar Tewari
 
Vol 8, No 4 (2017): December 2017 N-(Dibenzylcarbamothioyl)-3-methylbutanamide: Crystal structure, Hirshfeld surfaces and antimicrobial activity Abstract  PDF
Ilkay Gumus, Serpil Gonca, Birdal Arslan, Ebru Keskin, Ummuhan Solmaz, Hakan Arslan
 
Vol 13, No 3 (2022): September 2022 A new hydrazide functionalized Schiff’s base derivative: Insights into crystallography, Hirshfeld surface, and energy framework analysis Abstract  PDF
Vivek Prakash Malviya, Archisman Dutta
 
Vol 14, No 1 (2023): March 2023 Synthesis, crystal structure, DFT/HF, Hirshfeld surface, and molecular docking analysis of 4-(tert-butyl)-4-nitro-1,1-biphenyl Abstract  PDF
Neha Kumari, Ruchika Sharma, Archana Akaram Yadav, Sandeep Ashok Sankpal, Jayakumar Mohan Raj, Saminathan Murugavel, Rajni Kant
 
Vol 12, No 3 (2021): September 2021 N'-(Pyridin-3-ylmethylene)benzenesulfonohydrazide: Crystal structure, DFT, Hirshfeld surface and in silico anticancer studies Abstract  PDF
Ifeyinwa Stella Ozochukwu, Obinna Chibueze Okpareke, David Chukwuma Izuogu, Akachukwu Ibezim, Oguejiofo Theophilus Ujam, Jonnie Niyi Asegbeloyin
 
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 Abstract  PDF
Akhileshwari Prabhuswamy, Yasser Hussein Eissa Mohammed, Fares Hezam Al-Ostoot, Geetha Doddanahalli Venkatesh, Sridhar Mandayam Anandalwar, Shaukath Ara Khanum, Lokanath Neratur Krishnappagowda
 
Vol 12, No 1 (2021): March 2021 Halide bridged organophosphorus complexes of HgX2 (X: I, Br and Cl): Synthesis, structure and theoretical studies Abstract  PDF
Jahangir Mondal, Amit Kumar Manna, Goutam Kumar Patra
 
Vol 13, No 1 (2022): March 2022 Synthesis, characterization, X-ray crystal structure and Hirshfeld surface analysis of Ni(II) complex of 1,2-bis(pyridin-2-ylmethylene)hydrazine Abstract  PDF
Meman Sahu, Amit Kumar Manna, Dinesh De, Goutam Kumar Patra
 
Vol 10, No 4 (2019): December 2019 Vibrational spectroscopic and Hirshfeld surface analysis of N,N'-(azanediylbis(2,1-phenylene))bis(2-chloropropanamide) Abstract  PDF
Aysegul Suzan Polat, Ilkay Gumus, Hakan Arslan
 
Vol 14, No 1 (2023): March 2023 Synthesis, crystal structure, DFT and Hirshfeld surface analysis of 4-fluoro-N-(1,3-dioxoisoindolin-2-yl)benzamide Abstract  PDF
Ramakrishnan Elancheran, Balakrishnan Karthikeyan, Subramanian Srinivasan, Kuppusamy Krishnasamy, Senthamaraikannan Kabilan
 
Vol 12, No 4 (2021): December 2021 Crystal structure, Hirshfeld surface analysis, and DFT studies of N-(2-chlorophenylcarbamothioyl)cyclohexanecarboxamide Abstract  PDF
Cemal Koray Ozer, Ummuhan Solmaz, Hakan Arslan
 
Vol 13, No 4 (2022): December 2022 Crystal structure, in silico molecular docking, DFT analysis and ADMET studies of N-(2-methoxy-benzyl)-acetamide Abstract  PDF
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
 
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 Abstract  PDF
Soundararajan Eswari, Subbiah Thirumaran
 
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 Abstract  PDF
Goutam Kumar Patra, Amit Kumar Manna, Dinesh De
 
Vol 13, No 2 (2022): June 2022 Synthesis, X-ray crystal structure, DFT, Hirshfeld surfaces, energy frameworks, and molecular docking analysis of a bicyclic ortho-aminocarbonitrile derivative Abstract  PDF
Ruchika Sharma, Sandeep Ashok Sankpal, Pradeep Jangonda Patil, Saminathan Murugavel, Sonachalam Sundramoorthy, Rajni Kant
 
Vol 11, No 4 (2020): December 2020 Imino-pyridyl and PPh3 mixed ligand complexes of Cu(I)X (X: I, Br, and Cl): Synthesis, structure, DFT and Hirshfeld surface studies Abstract  PDF
Jahangir Mondal, Amit Kumar Manna, Goutam Kumar Patra
 
Vol 8, No 4 (2017): December 2017 Synthesis, single crystal X-ray diffraction, Hirshfeld surface and biological activity of quinolone derivatives Abstract  PDF
Huma Bano, Sarah Shafi, Hina Siddiqui, Muhammad Iqbal Choudhary, Sammer Yousuf
 
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 Abstract  PDF
Immihan Sezen Aydogdu, Ilkay Gumus, Hakan Arslan
 
Vol 12, No 4 (2021): December 2021 Crystal structure, Hirshfeld surface, and DFT studies of 4-((pyrrolidin-1-ylsulfonyl)methyl)aniline Abstract  PDF
Soundararajan Krishnan, Thanigaimani Kaliyaperumal, Ramalingam Marimuthu, Sethuraman Velusamy
 
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 Abstract  PDF
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
 
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 Abstract  PDF
Abdullah Aydin, Mehmet Akkurt, Zehra Tugce Gur, Erden Banoglu
 
Vol 12, No 3 (2021): September 2021 Synthesis, crystal structure, and theoretical studies of a macrocyclic silver(I) complex of imino-pyridyl Schiff base ligand Abstract  PDF
Jahangir Mondal, Meman Sahu, Bhaskar Sharma, Rakesh Ganguly, Shubhamoy Chowdhury, Goutam Kumar Patra
 
Vol 10, No 4 (2019): December 2019 Detailed analytical studies of 1,2,4-triazole derivatized quinoline Abstract  PDF
Shilpa Mallappa Somagond, Manjunath Ningappa Wari, Saba Kauser Jaweed Shaikh, Sanjeev Ramchandra Inamdar, Madan Kumar Shankar, Dasappa Jagadeesh Prasad, Ravindra Ramappa Kamble
 
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 Abstract  PDF
Goutam Kumar Patra, Dinesh De
 
Vol 13, No 4 (2022): December 2022 Rationalization of supramolecular interactions of a newly synthesized binuclear Cu(II) complex derived from 4,4′,6,6′-tetramethyl 2,2′-bipyrimidine ligand through Hirshfeld surface analysis Abstract  PDF
Samit Pramanik, Subrata Mukhopadhyay, Kinsuk Das
 
Vol 10, No 3 (2019): September 2019 Crystal structure and Hirshfeld surface analysis of N-(2-(N-methylsulfamoyl)phenyl)formamide: Degradation product of 2-methyl-2H-1,2,4-benzothiadiazine 1,1-dioxide Abstract  PDF
Koffi Senam Etse, Guillermo Zaragoza, Bernard Pirotte
 
Vol 11, No 2 (2020): June 2020 Synthesis, crystal structure, Hirshfeld surface and interaction energies analysis of 5-methyl-1,3-bis(3-nitrobenzyl)pyrimidine-2,4(1H,3H)-dione Abstract  PDF
Koffi Senam Etse, Laura Comeron Lamela, Guillermo Zaragoza, Bernard Pirotte
 
Vol 13, No 2 (2022): June 2022 Describing auxin solid state intermolecular interactions using contact descriptors, shape property and molecular fingerprint: comparison of pure auxin crystal and auxin-TIR1 co-crystal Abstract  PDF
Kodjo Djidjole Etse, Koffi Senam Etse, Marie-Luce Akossiwoa Quashie
 
Vol 13, No 2 (2022): June 2022 Synthesis, characterization and Hirshfeld surface analysis of 2-aminobenzothiazol with 4-fluorobenzoic acid co-crystal Abstract  PDF
Bubun Banerjee, Varun Sharma, Aditi Sharma, Gurpreet Kaur, Vivek Kumar Gupta
 
Vol 12, No 2 (2021): June 2021 Crystallographic identification of a novel 2,4,5-tri(N-methyl-4-pyridinium)-1,3-thiazole with a complex network of polyiodide/iodine counter ions and co-crystallized cyclododecasulfur (S12) Abstract  PDF
Ibukun Oluwaseun Shotonwa, Rene T. Boere
 
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 Abstract  PDF
Varun Sharma, Bubun Banerjee, Aditi Sharma, Vivek Kumar Gupta
 
Vol 11, No 1 (2020): March 2020 Structural diversity in the solid-state architectures of bis(4-pyridyl)acetylene and its derivatives Abstract  PDF
Ibukun Oluwaseun Shotonwa, Rene Theodoor Boere
 
Vol 12, No 4 (2021): December 2021 Crystal structure and computational studies of N-((2-ethoxynaphthalen-1-yl)methylene)-4-fluoroaniline Abstract  PDF
Sehriman Atalay, Mustafa Macit, Hakan Bulbul
 
Vol 13, No 3 (2022): September 2022 X-ray crystal structure analysis of N'-acetyl-N'-phenyl-2-naphthohydrazide Abstract  PDF
Varun Sharma, Indrajit Karmakar, Goutam Brahmachari, Vivek Kumar Gupta
 
Vol 13, No 2 (2022): June 2022 Synthesis, crystal structure, and antidiabetic property of hydrazine functionalized Schiff base: 1,2-Di(benzylidene)hydrazine Abstract  PDF
Nilankar Diyali, Meena Chettri, Abhranil De, Bhaskar Biswas
 
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