ABSTRACT
The syntheses and crystal structures of the isomeric 4-bromo-N-[(2-nitro-phen-yl)sulfon-yl]benzamide, (I), and 4-bromo-N-[(4-nitro-phen-yl)sulfon-yl]benzamide, (II), are described (mol-ecular formula = C13H9BrN2O5S in each case). The asymmetric unit of (I) contains two independent mol-ecules [(IA) and (IB)], while that of (II) contains one mol-ecule. The benzoic acid aromatic ring of mol-ecule (IA) is disordered due to rotation about the Car-C(=O) bond over two orientations in a 0.525â (9):0.475â (9) ratio. The dihedral angle between the benzene rings is 85.9â (3)° in (IA) and 65.22â (19)° in (IB), while in (II), the corresponding value is 56.7â (7)°. In the crystals of (I) and (II), N-Hâ¯O, C-Hâ¯O and C-Hâ¯π inter-actions generate three-dimensional networks.
ABSTRACT
In the title compound, C14H12N2O5S, the dihedral angle between the aromatic rings is 86.29â (1)° and the conformation between the C=O bond of the amide group and the meta-NO2 group is syn. The C-S-N-C torsion angle is -65.87â (19)° and the mol-ecule has an L-shaped conformation. In the crystal, the mol-ecules are connected into inversion dimers through pairs of N-Hâ¯O hydrogen bonds and C-Hâ¯O inter-actions forming R 2 (2)(8) and R 2 (2)(14) loops, respectively. The dimers are connected by further C-Hâ¯O inter-actions, thereby forming (100) sheets.