Analysis of the conformational polymorph crystal structures by means of molecular Voronoi-Dirichlet polyhedra

被引：0
|
作者：
V. N. Serezhkin
D. V. Pushkin
L. B. Serezhkina
机构：
[1] Samara State University,
来源：
Crystallography Reports | 2010年 / 55卷
关键词：
Crystallography Report; Hirshfeld Surface; Intramolecular Contact; Nonvalent Interaction; Dirichlet Polyhedron;
D O I：
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学科分类号：
摘要：
The nonvalent interactions in the crystal structures of 16 conformational polymorphs of the CaHbNcOdSe composition (a, b, c, d, and e are stoichiometric indices), including 5-methyl-2-[(2-nitrophenyl)amino]-3-thiophenecarbonitrile (“ROY”) (which has seven different modifications), have been analyzed using the characteristics of molecular Voronoi-Dirichlet polyhedra. It is established that a unique combination of implementable types of intra- and intermolecular nonvalent contacts corresponds to each conformational polymorph.
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页码：554 / 562
页数：8
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