1-(4-Bromo-phen-yl)-1-(4-nitro-benzo-yl)thio-urea

Acta Crystallogr Sect E Struct Rep Online. 2009 Jul 15;65(Pt 8):o1870-1. doi: 10.1107/S1600536809025884.

Abstract

The title compound, C(14)H(10)BrN(3)O(3)S, crystallizes as two concomitant polymorphs that differ in colour (one yellow and one colourless). Only the structure of the colourless form could be determined. The mol-ecule exists in the thio-amide form with an intra-molecular N-H⋯O=C hydrogen bond across the thio-urea system. Mol-ecules are linked into layers parallel to (120) by Br⋯O(nitro) contacts [3.103 (1) Å], classical hydrogen bonds from the other NH function to the S atom and N(nitro)⋯O=C contacts. The layers are linked by weak C-H⋯O(nitro) hydrogen bonds to produce the observed three-dimensional network.