Structure Reports Online

Volume 65, Part 8 (August 2009)

organic compounds

im2125 scheme

Acta Cryst. (2009). E65, o1870-o1871 [ doi:10.1107/S1600536809025884 ]

1-(4-Bromophenyl)-1-(4-nitrobenzoyl)thiourea

S. Saeed, N. Rashid, A. Tahir and P. G. Jones

Abstract: The title compound, C₁₄H₁₀BrN₃O₃S, 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 molecule exists in the thioamide form with an intramolecular N-HO=C hydrogen bond across the thiourea system. Molecules are linked into layers parallel to (120) by BrO_nitro contacts [3.103 (1) Å], classical hydrogen bonds from the other NH function to the S atom and N_nitroO=C contacts. The layers are linked by weak C-HO_nitro hydrogen bonds to produce the observed three-dimensional network.