Crystal structure of 1,5-diethyl-1H-1,5-benzodiazepine-2,4(3H,5H)-di-thione.

Acta Crystallogr E Crystallogr Commun

Département de Chimie, Université Laval, Québec, QC, G1V 0A6, Canada.

Published: February 2015

In the title compound, C13H16N2S2, the seven-membered ring adopts a boat conformation, with the two phenyl-ene C atoms representing the stern and the methyl-ene C atom as the prow. The thione S atoms and N-bound ethyl groups lie on the opposite side of the mol-ecule to the phenyl-ene ring so that the mol-ecule approximates mirror symmetry. In the crystal, supra-molecular layers in the bc plane are sustained by a pair of C-H⋯S inter-actions to the same S atom acceptor.

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Source
http://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384617PMC
http://dx.doi.org/10.1107/S205698901402790XDOI Listing

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