(2Z)-3-Hydroxy-1-(pyridin-2-yl)-3-(pyridin-3-yl)prop-2-en-1-one: crystal structure and Hirshfeld surface analysis [PDF]
Acta Crystallographica Section E: Crystallographic Communications, 2016 The title compound, C13H10N2O2 [also called 1-(pyridin-2-yl)-3-(pyridin-3-yl)propane-1,3-dione], features an almost planar (r.m.s. deviation = 0.0095 Å) central C3O2 core consolidated by an intramolecular hydroxy-O—H...O(carbonyl) hydrogen bond.
Sze-Ling Lee +4 more
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Polymorphism and Hirshfeld surface analysis of tetraoxa[2]perfluoroarene[2]triazine [PDF]
Acta Crystallographica Section E: Crystallographic CommunicationsThe title compound, tetraoxa[2]perfluoroarene[2]triazine (C20H6F8N6O6), composed of two tetrafluorophenylene and two triazine moieties connected by four oxygen atoms, was crystallized via slow evaporation of a dichloromethane solution, yielding two ...
Tadashi Kawasaki, Akiko Hori
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Crystal structure and Hirshfeld surface analysis of (E)-1-[2,2-dibromo-1-(2-nitrophenyl)ethenyl]-2-(4-fluorophenyl)diazene [PDF]
Acta Crystallographica Section E: Crystallographic Communications, 2022 In the title compound, C14H8Br2FN3O2, the nitro-substituted benzene ring and the 4-fluorophenyl ring form a dihedral angle of 65.73 (7)°. In the crystal, molecules are linked into chains by C—H...O hydrogen bonds running parallel to the c-axis direction.
Sevim Türktekin Çelikesir +6 more
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Synthesis, crystal structure and Hirshfeld surface analysis of 2-[(2,4-dimethylbenzyl)sulfanyl]pyrimidine-4,6-diamine [PDF]
Acta Crystallographica Section E: Crystallographic CommunicationsThe title compound, C13H16N4S (DAMP-DMB), was synthesized through the reaction of 2,4-dimethylbenzyl chloride with diaminopyrimidine-thiol. Single-crystal X-ray diffraction analysis confirmed that the compound crystallizes in the monoclinic crystal ...
Gulrukh Salieva +6 more
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2-[(4-Chlorophenyl)sulfanyl]-2-methoxy-1-phenylethan-1-one: crystal structure and Hirshfeld surface analysis [PDF]
Acta Crystallographica Section E: Crystallographic Communications, 2018 The title compound, C15H13ClO2S, comprises (4-chlorophenyl)sulfanyl, benzaldehyde and methoxy residues linked at a chiral methine-C atom (the crystal is racemic).
Ignez Caracelli +5 more
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ACS Omega, 2023 Eight Schiff bases, synthesized by the reaction of 4-aminoantipyrine with different cinnamaldehydes, were studied in the solid state by using vibrational spectroscopy (IR) and X-ray diffraction techniques.
Esteban Aguilar-Llanos +13 more
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Crystal structure and Hirshfeld surface analysis of dibromidobis({(S)-2-[1-(dimethylamino)ethyl]phenyl}diphenylsilanol-κO)zinc(II) [PDF]
Acta Crystallographica Section E: Crystallographic CommunicationsMolecules of the title compound, [ZnBr2(C22H25NOSi)2], are situated across a twofold axis passing through the central Zn atom in the uncommon space group C2221.
Julius Hättasch +3 more
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Crystal structure and Hirshfeld surface analysis of 1-[2-(2-chloroethoxy)ethyl]-2-methyl-4-nitro-1H-imidazole [PDF]
Acta Crystallographica Section E: Crystallographic CommunicationsImidazoles are a widely studied class of heterocyclic compounds with significant biological and pharmacological relevance, including applications as fungicides, herbicides, and therapeutic agents.
Thaluru M. Mohan Kumar +5 more
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Data in Brief, 2021 This article reports the single-crystal X-ray diffraction dataset of some isobutyl-1,2,6-triaryl-4-(arylamino)-1,2,5,6-tetrahydropyridine-3-carboxylate (1-3) derivatives with Hirshfeld surface analysis.
Chandran Udhaya Kumar +6 more
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Journal of Applied Crystallography, 2021 CrystalExplorer is a native cross-platform program for the visualization and investigation of molecular crystal structures.
Peter R. Spackman +6 more
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