Abstract
In the title molecule, C16H16O4S, the enone fragment, thiophene ring and benzene ring are individually essentially planar. The thiophene ring is disordered over two sites, corresponding to a rotation of approximately 180° about the single C—C bond to which it is attached. The approximate ratio of occupancies for the major and minor components is 0.872 (2):0.128 (2). The major component of the thiophene ring and the benzene ring are twisted from each other by 13.92 (19)°. An intramolecular C—H⋯O hydrogen bond generates an S(5)S(5) ring motif. The crystal structure is stabilized by intermolecular C—H⋯O hydrogen-bonding interactions. In addition, a π–π stacking interaction, with a centroid–centroid distance of 3.852 (2) Å, and short S⋯O [2.9378 (12) Å] and O⋯O [2.5811 (16) Å] contacts are observed.
Highlights
In the title molecule, C16H16O4S, the enone fragment, thiophene ring and benzene ring are individually essentially planar
The thiophene ring is disordered over two sites, corresponding to a rotation of approximately 180 about the single C—C bond to which it is attached
The crystal structure is stabilized by intermolecular C—H O hydrogen-bonding interactions
Summary
C16H16O4S, the enone fragment, thiophene ring and benzene ring are individually essentially planar. The thiophene ring is disordered over two sites, corresponding to a rotation of approximately 180 about the single C—C bond to which it is attached. The approximate ratio of occupancies for the major and minor components is. The major component of the thiophene ring and the benzene ring are twisted from each other by. An intramolecular C—H O hydrogen bond generates an S(5)S(5) ring motif. The crystal structure is stabilized by intermolecular C—H O hydrogen-bonding interactions. A – stacking interaction, with a centroid–centroid distance of 3.852 (2) Å, and short S O [2.9378 (12) Å] and O O [2.5811 (16) Å] contacts are observed
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