Abstract
In the title compound, C18H17NO3S, the seven-membered thiazepine ring adopts a slightly distorted sofa conformation. The dihedral angle between the mean plane of the benzothiazepine ring system and the benzene ring is 5.9 (1)°. The molecular conformation is stabilized by an intramolecular C—H⋯S hydrogen bond, which generates an S(7) ring motif. In the crystal, N—H⋯O and C—H⋯O hydrogen bonds link inversion-related molecules into dimers, incorporating R 1 2(6) and R 2 2(8) ring motifs; the acceptor O atom is bifurcated. These dimers are further linked by C—H⋯O hydrogen bonds, forming supramolecular tapes running along the a axis. These are connected into the three-dimensional architecture by C—H⋯π interactions.
Highlights
The dihedral angle between the mean plane of the benzothiazepine ring system and the benzene ring is 5.9 (1)
The molecular conformation is stabilized by an intramolecular C—
R22(8) ring motifs; the acceptor O atom is bifurcated. These dimers are further linked by C—H O hydrogen bonds, forming supramolecular tapes running along the a axis
Summary
Nattrampalli, Vellore 635 854, India, and cDepartment of Physics, Thanthai. C18H17NO3S, the seven-membered thiazepine ring adopts a slightly distorted sofa conformation. The molecular conformation is stabilized by an intramolecular C—. H S hydrogen bond, which generates an S(7) ring motif. N—H O and C—H O hydrogen bonds link inversion-related molecules into dimers, incorporating R21(6). R22(8) ring motifs; the acceptor O atom is bifurcated. These dimers are further linked by C—H O hydrogen bonds, forming supramolecular tapes running along the a axis. These are connected into the three-dimensional architecture by C—H interactions
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