(Z)-5-Benzene-carbothioyl-1,11-dimethyl-6-phenyl-5H-dibenzo[d,f][1,3]diazepine.

ABSTRACT: The seven-membered ring in the title compound, C(28)H(22)N(2)S, has a two-coordinate N atom as well as a three-coordinate N atom. The ring adopts a boat-shaped conformation with two C atoms of one methyl-phenyl ring as the stern and the three-coordinate N atom as the prow. The N,N-dimethyl-ethane-thio-amide fragment is nearly planar (r.m.s. deviation = 0.049?Å); the phenyl ring of the benzene-carbothioyl unit connected to the three-coordinate N atom is aligned at 83.72?(4)° with respect to the mean plane of this fragment. Weak inter-molecular C-H?S hydrogen bonding is present in the crystal structure.

SUBMITTER: Zhang JX 

PROVIDER: S-EPMC3051548 | biostudies-other | 2011

REPOSITORIES: biostudies-other