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：

暂无

中图分类号：

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.

引用

页码：554 / 562

页数：8

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