Abstract
In the title compound, C17H15NO2S, the seven-membered thiazepine ring adopts a distorted twist-boat conformation. The dihedral angle between the mean planes of the benzothiazepin ring system and the attached benzene ring is 47.7 (1)°. In the crystal, pairs of N—H⋯O hydrogen bonds link inversion-related molecules into dimers, generating R 2 2(8) ring motifs. These dimers are further connected into a chain along the a axis by C—H⋯O hydrogen bonds, resulting in R 2 2(14) ring motifs. The crystal packing also features C—H⋯π interactions.
Highlights
The dihedral angle between the mean planes of the benzothiazepin ring system and the attached benzene ring is
Cg is the centroid of the C11–C16 ring
These dimers are further connected into a chain along the a axis by C—H O hydrogen bonds, resulting in
Summary
R factor = 0.046; wR factor = 0.146; data-to-parameter ratio = 21.7. Cg is the centroid of the C11–C16 ring. C17H15NO2S, the seven-membered thiazepine ring adopts a distorted twist-boat conformation. Pairs of N—H O hydrogen bonds link inversion-related molecules into dimers, generating R22(8). These dimers are further connected into a chain along the a axis by C—H O hydrogen bonds, resulting in.
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