3-tert-Butyl-4-(4-chlorophenyl)-1-phenyl-1H-pyrazolo[3,4-e][1,4]thiazepin-7(4H,6H,8H)-one

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 an R22(8) ring motif. The dimers are linked via C—H...O hydrogen bonds forming ribbons, enclosing R42(20) loops, propagating along [001].

Keywords

• crystal structure
• 1,4-thiazepinone
• hydrogen bonding