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.
Molecules of methyl 3,5-dinitrobenzoate, C8H6N2O6, are linked into C7 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.
Vasconcelos
Thatyana R A
TR
Complexo Tecnológico de Medicamentos Farmanguinhos, Av. Comandante Guaranys 447, Jacarepaguá, Rio de Janeiro, RJ, Brazil.
de Souza
Marcus V N
MV
Wardell
Solange M S V
SM
Wardell
James L
JL
Low
John N
JN
Glidewell
Christopher
C