(Z)-3-(2,4-Dichloro-benz-yl)-1,5-benzo-thia-zepin-4(5H)-one.

ABSTRACT: In the title compound, C16H11Cl2NOS, the seven-membered thia-zepine ring adopts a distorted twist-boat conformation. The dihedral angle between the mean plane of the benzothia-zepine ring system and the benzene ring is 78.6?(1)°. The mol-ecular conformation is stabilized by a weak intra-molecular C-H?Cl hydrogen bond, which generates an S(5) ring motif. In the crystal, pairs of N-H?O hydrogen bonds link inversion-related mol-ecules into dimers, generating R 2 (2)(8) ring motifs. The crystal packing also features alternating ?-? inter-actions between benzothia-zepine benzene rings [inter-centroid distance = 3.740?(3)?Å] and dichloro-benzene rings [inter-centroid distance = 3.882?(3)?Å] to consolidate a three-dimensional architecture.

SUBMITTER: Murugavel S 

PROVIDER: S-EPMC3629614 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature