(Z)-3-(3,4-Di-meth-oxy-benz-yl)-1,5-benzo-thia-zepin-4(5H)-one.

ABSTRACT: In the title compound, C18H17NO3S, the thia-zepine ring adopts a slightly distorted twist-boat conformation. The dihedral angle between the mean plane of the benzo-thia-zepin ring system and the benzene ring is 60.3?(1)°. In the crystal, mol-ecules are linked by two pairs of inversion-related N-H?O and C-H?O hydrogen bonds, generating alternating R 2 (2)(8) and R 2 (2)(6) ring motifs, respectively, in a zigzag supra-molecular chain that runs along the c axis. These chains stack along the a axis via S?C [3.424?(2)?Å] contacts. A three-dimensional supra-molecular network is consolidated by C-H?? and ?-? inter-actions [inter-centroid distance between di-meth-oxy-benzene rings = 3.815?(1)?Å]. The crystal studied was a non-merohedral twin, with a refined value of the minor twin fraction of 0.2477?(6) .

SUBMITTER: Selvakumar R 

PROVIDER: S-EPMC3648241 | biostudies-literature | 2013 May

REPOSITORIES: biostudies-literature