(Z)-3-(3,4-Dimeth-oxy-benzyl-idene)-2,3-dihydro-1,5-benzothia-zepin-4(5H)-one.

ABSTRACT: In the title compound, C18H17NO3S, the seven-membered thia-zepine ring adopts a slightly distorted sofa conformation. The dihedral angle between the mean plane of the benzothia-zepine ring system and the benzene ring is 5.9?(1)°. The mol-ecular conformation is stabilized by an intra-molecular 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 mol-ecules 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 supra-molecular tapes running along the a axis. These are connected into the three-dimensional architecture by C-H?? inter-actions.

SUBMITTER: Bakthadoss M 

PROVIDER: S-EPMC3629613 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature