Simple chains in methyl 3,5-dinitrobenzoate, isolated molecules in isopropyl 3,5-dinitrobenzoate, and a three-dimensional framework containing double and sextuple helices in benzyl 3,5-dinitrobenzoate, all at 120 K

T R A Vasconcelos, M V N de Souza, S M S V Wardell, J L Wardell, J N Low, C Glidewell

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Abstract

Molecules of methyl 3,5-dinitrobenzoate, C8H6N2O6, are linked into C(7) chains by a single nearly linear C-H (...) O hydrogen bond, but there are no direction-specific interactions in the structure of isopropyl 3,5-dinitrobenzoate, C10H10N2O6. In benzyl 3,5-dinitrobenzoate, C14H10N2O6, the molecules are linked by four independent C-H (...) O hydrogen bonds into a complex three-dimensional framework structure, in which it is possible to identify simple substructures in the form of cyclic centrosymmetric dimers, double helices and sextuple helices.

Original languageEnglish
Number of pages4
JournalActa Crystallographica Section C-Crystal Structure Communications
Volume62
DOIs
Publication statusPublished - Jan 2006

Keywords

  • CRYSTAL-STRUCTURE

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