Analysis of nonvalent interactions in the crystals of conformational polymorphs of the composition CaHbNcOdSe by means of molecular voronoi-dirichlet polyhedra

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作者
V. N. Serezhkin
L. B. Serezhkina
D. V. Pushkin
机构
[1] Samara State University,
关键词
nonvalent interactions; molecular Voronoi-Dirichlet polyhedra; crystals; conformational polymorphism;
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摘要
Nonvalent interactions in crystals of compounds of the composition CaHbNcOdSe that exhibit conformational polymorphism and have no fewer than four structurally characterized modifications are analyzed using molecular Voronoi-Dirichlet polyhedrals. A unique combination of the types of occurring intra- and intermolecular nonvalent contacts is shown to correspond to each conformational polymorph. Nonvalent interactions involving hydrogen atoms are found to occur most often in crystal structures, and least often those involving S, N, and O atoms.
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页码:826 / 834
页数:8
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