Crystal and molecular structure of thiophene-2-carboxaldehyde-o-chlorobenzoyl-hydrazone

Abstract

Abstract The crystal and molecular structure of the title compound, C12H9ClN2OS, has been determined from three-dimensional X-ray diffraction data. The structure is orthorhombic, Pca21, with a = 12.244(3), b = 10.664(2), c = 9.341(2) Å, and Z = 4. The structure was solved by direct methods and refined by least-squares to a final R = 0.052 for 1247 observed reflections [Fo > 5σ(Fo )]. The molecule consists of three parts: the phenyl ring, the thiophene ring and the central chain. Both rings are perfectly planar within the experimental error and their dimensions are as expected. The central chain is planar only approximately. The dihedral angles formed between the mean planes of the central chain and the phenyl and thiophene rings are 44.8(3)° and 12.7(2)° respectively. It seems that hydrogen bonds of N–H…O type contribute substantially to the molecular packing.