Results 121 to 130 of about 19,109 (207)

Photoluminescence, Impedance, Thermal Characteristics and Hirshfeld Surface Analysis of Potassium Bisulphate Single Crystals for Third Order NLO Applications

, 2021
K. Thilaga, P. Selvarajan, S.M. Abdul Kader   +2 more
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A New Half-Salamo-Based Homo-Trinuclear Nickel(II) Complex: Crystal Structure, Hirshfeld Surface Analysis, and Fluorescence Properties [PDF]

, 2019
Xiao‐Xin An, Qing Zhao, Hao-Ran Mu, Wen‐Kui Dong   +3 more
openalex   +1 more source

Synthesis, crystal structure and Hirshfeld surface analysis of 5-methyl-1H-pyrazol-3-yl 4-nitrobenzenesulfonate at 90 K

Acta Crystallographica Section E: Crystallographic Communications
This study presents the synthesis, crystal structure, and a Hirshfeld-surface analysis of the bioactive compound 5-methyl-1H-pyrazol-3-yl 4-nitrobenzenesulfonate(C10H9N3O5S), a pyrazole derivative with pharmacological potential.
Vinaya, Syida A. Yakuth, Thaluru M. Mohan Kumar, Besagarahally L. Bhaskar, Thayamma R. Divakara, Hemmige S. Yathirajan, Yeriyur B. Basavaraju, Sean Parkin   +7 more
doaj   +1 more source

Unraveling Strong Supramolecular Assembly of a Novel Pyrene Based Hg(II)‐complex: Insights from Hirshfeld Surface, FMO and Molecular Electrostatic Potential (MEP) Analyses [PDF]

Shibashis Halder, Yeasin Sikdar, Mohd Afzal, Mridula Guin, Saugata Konar   +4 more
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Synthesis, crystal structure and Hirshfeld surface analysis of (4-methylphenyl)[1-(pentafluorophenyl)-5-(trifluoromethyl)-1H-1,2,3-triazol-4-yl]methanone [PDF]

, 2021
Nazariy T. Pokhodylo, Yurii Slyvka, Evgeny Goreshnik, Roman Lytvyn   +3 more
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Crystal structures and Hirshfeld surface analyses of 4-benzyl-6-phenyl-4,5-dihydropyridazin-3(2H)-one and methyl 2-[5-(2,6-dichlorobenzyl)-6-oxo-3-phenyl-1,4,5,6-tetrahydropyridazin-1-yl]acetate [PDF]

, 2019
Said Dadou, Sevgi Kansız, Said Daoui, Fouad El Kalai, Cemile Baydere, Rafik Saddik, Khalid Karrouchi, Necmi Dege, N. Benchat   +8 more
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Crystal Structure and Hirshfeld Surface Analysis of Hexakis(acetoxymethyl)benzene

Molbank
Representatives of the hexasubstituted benzene derivatives, also known as hexa-hosts, have been the subject of extensive studies in solution and in the solid state, including the investigation of their ability to act as artificial receptors for various ...
Manuel Stapf, Wilhelm Seichter, Monika Mazik   +2 more
doaj   +1 more source

Crystal structure, Hirshfeld surface analysis, calculations of crystal voids, interaction energy and energy frameworks as well as density functional theory (DFT) calculations of 3-[2-(morpholin-4-yl)ethyl]-5,5-diphenylimidazolidine-2,4-dione [PDF]

Houda Lamssane, Amal Haoudi, Badr Eddine Kartah, Ahmed Mazzah, Joel T. Mague, Tuncer Hökelek, Youssef Kandri Rodi, Nada Kheira Sebbar   +7 more
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Investigation of Solubility Behavior of Canagliflozin Hydrate Crystals Combining Crystallographic and Hirshfeld Surface Calculations [PDF]

, 2021
Yefen Zhu, Yanlei Kang, Ling Zhu, Kaxi Yu, Shuai Chen, Guping Tang, Xiu-Rong Hu   +6 more
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Syntheses, crystal structures and Hirshfeld surface analysis of 4-(4-nitrophenyl)piperazin-1-ium trifluoroacetate and 4-(4-nitrophenyl)piperazin-1-ium trichloroacetate [PDF]

, 2022
Holehundi J. Shankara Prasad, Devaraju, Subbaiah M. Murthy, H. Kaspiaruk, H.S. Yathirajan, Sabine Foro, Lilianna Chęcińska   +6 more
openalex   +1 more source