Laboratoire de Cristallographie, Département de Physique, Université Mentouri-Constantine, 25000 Constantine, Algeria
Olivier Jeannin
UMR 6226 CNRS–Université Rennes 1, `Institut des Sciences Chimiques de Rennes', Equipe `Matière Condensée et Systèmes Electroactifs', Bâtiment 10C, Campus de Beaulieu, 263 Avenue du Général Leclerc, F-35042 Rennes, France
Marc Fourmigué
UMR 6226 CNRS–Université Rennes 1, `Institut des Sciences Chimiques de Rennes', Equipe `Matière Condensée et Systèmes Electroactifs', Bâtiment 10C, Campus de Beaulieu, 263 Avenue du Général Leclerc, F-35042 Rennes, France
Ali Boudjada
Laboratoire de Cristallographie, Département de Physique, Université Mentouri-Constantine, 25000 Constantine, Algeria
Jean Meinnel
UMR 6226 CNRS–Université Rennes 1, `Institut des Sciences Chimiques de Rennes', Equipe `Matière Condensée et Systèmes Electroactifs', Bâtiment 10C, Campus de Beaulieu, 263 Avenue du Général Leclerc, F-35042 Rennes, France
The title compound, C7H5Br2NO2 (common name: dibromonitrotoluene; systematic name: 1,3-dibromo-2-methyl-5-nitrobenzene) crystallizes with two independent molecules (A and B) in the asymmetric unit. In molecule A, the Br atoms lie almost in the plane of the benzene ring, with deviations of 0.012 (1) and 0.009 (1) Å, while for the methyl C atom the deviation is 0.038 (4) Å. In molecule B, the opposite is observed; for the methyl C atom the deviation is 0.003 (4) Å, while the two Br atoms deviate by 0.032 (1) and 0.025 (1) Å. In the crystal, the B molecules are linked via C—H...Br hydrogen bonds, forming chains along [101]. The A molecules are also aligned along the same direction, and there is a short Br...O contact of 3.101 (4) Å involving the A and B molecules. The molecules stack in layers parallel to (101) and are linked by weak π–π interactions [intercentroid distances = 3.564 (3) Å between A molecules and 3.662 (3) Å between B molecules].
