Abstract
In the title molecule, C22H22ClN3OS, the fused 1,4-thiazepinone ring adopts a near twist-boat conformation and the chlorobenzene ring is inclined to the phenyl ring by 88.38 (12)°. In the crystal, molecules are linked by pairs of N—H...O hydrogen bonds, forming inversion dimers with anR22(8) ring motif. The dimers are linkedviaC—H...O hydrogen bonds forming ribbons, enclosingR42(20) loops, propagating along [001].
Highlights
C22H22ClN3OS, the fused 1,4-thiazepinone ring adopts a near twist-boat conformation and the chlorobenzene ring is inclined to the phenyl ring by 88.38 (12)
Molecules are linked by pairs of N— HÁ Á ÁO hydrogen bonds, forming inversion dimers with an R22(8) ring motif
The dimers are linked via C—HÁ Á ÁO hydrogen bonds forming ribbons, enclosing R24(20) loops, propagating along [001]
Summary
The title compound has in its structure the 1,4-thiazepine ring which is one of the most important moieties in nitrogen- and sulfur-containing heterocycles and which has been widely used as a building block for pharmacologically relevant therapeutic agents. Molecules are linked by pairs of N—HÁ Á ÁO hydrogen bonds, of moderate strength (Desiraju & Steiner, 1999), forming inversion dimers enclosing an R22(8) ring motif (Table 1 and Fig. 2). The dimers are linked via C—HÁ Á ÁO hydrogen bonds forming ribbons, enclosing R24(20) loops, propagating along the c-axis direction (Table 1 and Fig. 2)
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