Abstract
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 12.24 (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-H⋯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 Cl⋯H/ H⋯Cl (20.8%), followed by Cl⋯Cl (18.7%), C⋯C (11.9%), Cl⋯S/S⋯Cl (10.9%), H⋯H (10.1%), C⋯H/H⋯C (9.3%) and O⋯H/H⋯O (7.6%).
Highlights
The molecular structure of the title compound, C13H6Cl4OS, consists of a 2,5dichlorothiophene ring and a 2,4-dichlorophenyl ring linked via a prop-2-en-1one spacer
In view of all the above and as part of our ongoing work (Harrison et al, 2010; Jasinski et al, 2010; Dutkiewicz et al, 2010) we report the crystal and molecular structure of the title compound
The molecular conformation of the title compound is stabilized by intramolecular C—HÁ Á ÁCl contacts (Table 1), producing S(6) and S(5) ring motifs
Summary
Compounds bearing the 1,3-diphenyl-2-propen-1-one framework and belong to the flavonoid family are commonly called by its generic name ‘chalcone’ These are abundant in nature, ranging from ferns to higher plants, and are considered to be the precursors of flavonoids and isoflavonoids, in which the two aromatic rings are joined by a three carbon , -unsaturated carbonyl system. The chemistry of chalcones remains a fascination among researchers because of the large number of replaceable hydrogen atoms that allows a number of derivatives with a variety of promising biological activities. The molecular conformation of the title compound is stabilized by intramolecular C—HÁ Á ÁCl contacts (Table 1), producing S(6) and S(5) ring motifs
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