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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Crystals, 2023 This study employs a comprehensive computational analysis of the 2-benzyloxy-1,2,4-triazolo[1,5-a] quinazolin-5(4H)-one (ID code: CCDC 834498) to explore its intermolecular interactions, surface characteristics, and crystal structure.
Ahmed H. Bakheit +2 more
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6-Methyl-2-oxo-N-(quinolin-6-yl)-2H-chromene-3-carboxamide: crystal structure and Hirshfeld surface analysis [PDF]
Acta Crystallographica Section E: Crystallographic Communications, 2016 The title coumarin derivative, C20H14N2O3, displays intramolecular N—H...O and weak C—H...O hydrogen bonds, which probably contribute to the approximate planarity of the molecule [dihedral angle between the coumarin and quinoline ring systems = 6.08 (6)°]
Lígia R. Gomes +4 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-[(1E)-({[(Benzylsulfanyl)methanethioyl]amino}imino)methyl]-6-methoxyphenol: crystal structure and Hirshfeld surface analysis [PDF]
Acta Crystallographica Section E: Crystallographic Communications, 2016 The title dithiocarbazate ester, C16H16N2O2S2, comprises two almost planar residues, i.e. the phenyl ring and the remaining 14 non-H atoms (r.m.s. deviation = 0.0410 Å). These are orientated perpendicularly, forming a dihedral angle of 82.72 (5)°.
Enis Nadia Md Yusof +3 more
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Synthesis, crystal structure and Hirshfeld surface analysis of N-(4-methoxyphenyl)picolinamide [PDF]
Acta Crystallographica Section E: Crystallographic CommunicationsThe synthesis, crystal structure, and Hirshfeld surface analysis of N-(4-methoxyphenyl)picolinamide (MPPA), C13H12N2O2, are presented. MPPA crystallizes in the monoclinic space group P21/n, with a single molecule in the asymmetric unit.
Dilnoza Burieva +7 more
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Effect of pressure on the crystal structure of alpha-glycylglycine to 4.7 GPa; application of Hirshfeld surfaces to analyse contacts on increasing pressure [PDF]
, 2006 Allan, D R +3 more
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N-(6-Methoxypyridin-2-yl)-1-(pyridin-2-ylmethyl)-1H-pyrazole-3-carboxamide: crystal structure and Hirshfeld surface analysis [PDF]
Acta Crystallographica Section E: Crystallographic Communications, 2018 The title compound, C16H15N5O2, adopts the shape of the letter L with the dihedral angle between the outer pyridyl rings being 78.37 (5)°; the dihedral angles between the central pyrazolyl ring (r.m.s.
Vivek C. Ramani +3 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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Acta Crystallographica Section E: Crystallographic Communications, 2022 The molecular and crystal structures of the title compound, C8H4F5NO, were examined by single-crystal X-ray diffraction and Hirshfeld surface analysis. The title compound was synthesized by a new method at the interface of aqueous solutions of LiOH and ...
Anton P. Novikov +3 more
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