RESUMO
The mol-ecular structure of the title compound, C13H7Cl3OS, consists of a 2,5- di-chloro-thio-phene ring and a 2-chloro-phenyl ring linked via a prop-2-en-1-one spacer. The dihedral angle between the 2,5-di-chloro-thio-phene and 2-chloro-phenyl rings is 9.69â (12)°. The mol-ecule has an E configuration about the C=C bond and the carbonyl group is syn with respect to the C=C bond. The mol-ecular conformation is stabilized by two intra-molecular C-Hâ¯Cl contacts and one intra-molecular C-Hâ¯O contact, forming S(5)S(5)S(6) ring motifs. In the crystal, the mol-ecules are linked along the a-axis direction through van der Waals forces and along the b axis by face-to-face π-stacking between the thio-phene rings and between the benzene rings of neighbouring mol-ecules, forming corrugated sheets lying parallel to the bc plane. The inter-molecular inter-actions in the crystal packing were further analysed using Hirshfield surface analysis, which indicates that the most significant contacts are Clâ¯H/ Hâ¯Cl (28.6%), followed by Câ¯H/Hâ¯C (11.9%), Câ¯C (11.1%), Hâ¯H (11.0%), Clâ¯Cl (8.1%), Oâ¯H/Hâ¯O (8.0%) and Sâ¯H/Hâ¯S (6.6%).
RESUMO
The mol-ecular structure of the title compound, C13H6Cl4OS, consists of a 2,5-di-chloro-thio-phene ring and a 2,4-di-chloro-phenyl ring linked via a prop-2-en-1-one spacer. The dihedral angle between the 2,5-di-chloro-thio-phene ring and the 2,4-di-chloro-phenyl ring is 12.24â (15)°. The mol-ecule has an E configuration about the C=C bond and the carbonyl group is syn with respect to the C=C bond. The mol-ecular conformation is stabilized by intra-molecular C-Hâ¯Cl contacts, producing S(6) and S(5) ring motifs. In the crystal, the mol-ecules are linked along the a-axis direction through face-to-face π-stacking between the thio-phene rings and the benzene rings of the mol-ecules in zigzag sheets lying parallel to the bc plane along the c axis. The inter-molecular inter-actions in the crystal packing were further analysed using Hirshfield surface analysis, which indicates that the most significant contacts are Clâ¯H/ Hâ¯Cl (20.8%), followed by Clâ¯Cl (18.7%), Câ¯C (11.9%), Clâ¯S/Sâ¯Cl (10.9%), Hâ¯H (10.1%), Câ¯H/Hâ¯C (9.3%) and Oâ¯H/Hâ¯O (7.6%).