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

Acta Crystallogr Sect E Struct Rep Online. 2011 Jan 12;67(Pt 2):o364. doi: 10.1107/S1600536811000092.

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.