Author/Authors :
Laroum, Rima Laboratoire de Synthèse de Molécules d'Intérêts Biologiques - Département de Chimie, Algeria , Benouatas, Assia Laboratoire de Cristallographie - Département de Physique - Université Mentouri Constantine, Algeria , Hamdouni, Noudjoud Laboratoire de Cristallographie - Département de Physique - Université Mentouri Constantine, Algeria , Zemamouche, Wissame Laboratoire de Cristallographie - Département de Physique - Université Mentouri Constantine, Algeria , Boudjada, Ali Laboratoire de Cristallographie - Département de Physique - Université Mentouri Constantine, Algeria , Debache, Abdelmadjid Laboratoire de Synthèse de Molécules d'Intérêts Biologiques - Département de Chimie, Algeria
Abstract :
The title compound, C9H7NO2S crystallizes with two independent molecules (A and B) in the asymmetric unit with Z = 8. Both molecules are almost planar with a dihedral angle between the isoxazole and thiophen rings of 3.67 (2)° in molecule A and 10.00 (1) ° in molecule B. The packing of molecules A and B is of an ABAB⋯ type along the b-axis direction, the configuration about the C=C bond is Z. In the crystal, the presence of C—H⋯O, C—H⋯ N and π–π interactions [centroid–centroid distances of 3.701 (2) and 3.766 (2) Å] link the molecules into a three-dimensional architecture. An analysis of Hirshfeld surfaces shows the importance of C—H⋯O and C—H⋯N hydrogen bonds in the packing mechanism of the crystalline structure.
Keywords :
crystal structure , π–π interactions , isoxazole , Hirshfeld surface
