Open AccessSimple 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
Author(s) -
Vasconcelos Thatyana R. A.,
Low John N.,
De Souza Marcus V. N.,
Wardell James L.,
Wardell Solange M. S. V.,
Glidewell Christopher
Publication year - 2006
Publication title -
acta crystallographica section c
Language(s) - English
Resource type - Journals
eISSN - 1600-5759
pISSN - 0108-2701
DOI - 10.1107/s0108270105038631
Subject(s) - isopropyl , hydrogen bond , chemistry , molecule , stereochemistry , crystallography , organic chemistry
Molecules of methyl 3,5‐dinitrobenzoate, C 8 H 6 N 2 O 6 , 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, C 10 H 10 N 2 O 6 . In benzyl 3,5‐dinitrobenzoate, C 14 H 10 N 2 O 6 , 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.