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Hirshfeld surface analysis of the intermolecular interaction networks in cellulose Iα and Iβ
Carbohydrate Research, 2022Due to the high crystallinity and natural abundance, the crystal structures of native cellulose allomorphs have been theoretically studied until today, but some details remain to be deciphered. In this work, research was extended on the visualization and quantification of intermolecular interactions related to hydrogen bonds and van der Waals ...
Firas Krichen +2 more
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Bromobismuthates: Cation-induced structural diversity and Hirshfeld surface analysis of cation–anion contacts [PDF]
Polyhedron, 2018 © 2017 Elsevier Ltd Reactions of [BiBr6]3−and bromide salts of various substituted pyridinium cations in excess of HBr result in a series of bromobismuthate anionic complexes of various geometry and nuclearity: [{BiBr4}n]n−, [Bi2Br9]3−and [Bi2Br10]4 ...
Igor Gorokh +2 more
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Structural characterization and Hirshfeld surface analysis of racemic baclofen
Journal of Molecular Structure, 2016Abstract The crystal structure of baclofen, (R,S) [4-amino-3-(4-chlorophenyl)butanoic acid], (C10H12ClNO2, Mr = 213.66) has been determined by single crystal X-ray diffraction analysis. The title compound crystallizes in the orthorhombic space group Pbca (No. 61) with a = 9.2704(5), b = 7.0397(4), c = 30.4015(15) A, V = 1984.0(2) A3 and Z = 8.
Waldemar Maniukiewicz +2 more
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Supramolecular networks and Hirshfeld surfaces of oxydiacetic acid and iminodiacetic acid salts
Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials, 2019Oxydiacetic acid (Oda) and iminodiacetic acid (Ida) have been combined with two diamines, namely ethylenediamine (en) and o-phenylenediamine (o-phen), to give three molecular crystals of compositions [(Oda2−)(en2+)]·H2O (Odaen), [(Ida−)(0.5en+)] (Idaen) and [(Oda−)(o-phen+)] (Odaophen).
V, Gomathi, C, Theivarasu
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Hirshfeld surface analysis of diclofenac acid
AIP Conference Proceedings, 2019Deniz Baylan, Seda Gunesdogdu Sagdinc
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Hirshfeld Surface Method and Its Application in Energetic Crystals
Crystal Growth & Design, 2021Shijie Li +3 more
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Hirshfeld Surface Analysis for Investigation of Intermolecular Interaction of Molecular Crystals
International Journal of Organic Chemistry, 2023Takashiro Akitsu
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Ambroxol: Insight into the Crystal Structure, Hirshfeld Surface Analysis and Computational Study
Polycyclic Aromatic Compounds, 2023Larisa Alkhimova +2 more
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