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


Ontology type: schema:ScholarlyArticle     


Article Info

DATE

2010-07

AUTHORS

V. N. Serezhkin, D. V. Pushkin, L. B. Serezhkina

ABSTRACT

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. More... »

PAGES

554-562

References to SciGraph publications

  • 1982-08. Crystal structure of sulfamerazine in JOURNAL OF CHEMICAL CRYSTALLOGRAPHY
  • 2005-07. New Method of Analysis of Intermolecular Contacts in the Crystal Structure: π-Complexes in RUSSIAN JOURNAL OF COORDINATION CHEMISTRY
  • Identifiers

    URI

    http://scigraph.springernature.com/pub.10.1134/s1063774510040048

    DOI

    http://dx.doi.org/10.1134/s1063774510040048

    DIMENSIONS

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