科研之友
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摘要
The nonvalent interactions in the crystal structures of 16 conformational polymorphs of the C(a)H(b)N(c)O(d)S(e) 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.
- 出版日期2010-7
