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

Analysis of the conformational polymorph crystal structures by means of molecular... Abstract 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. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Crystallography Reports Springer Journals

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

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References (22)

Publisher
Springer Journals
Copyright
2010 Pleiades Publishing, Ltd.
ISSN
1063-7745
eISSN
1562-689X
DOI
10.1134/s1063774510040048
Publisher site
See Article on Publisher Site

Abstract

Abstract 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.

Journal

Crystallography ReportsSpringer Journals

Published: Jul 1, 2010

Keywords: Crystallography and Scattering Methods

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