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

ABSTRACT: 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.

SUBMITTER: Lamkaddem A 

PROVIDER: S-EPMC4384617 | biostudies-literature | 2015 Feb

REPOSITORIES: biostudies-literature

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

Lamkaddem Abderrahman A   Harcharras Mohamed M   Shaim Abdelillah A   Zouihri Hafid H   Echchahed Bousselham B   Bi Wenhua W  

Acta crystallographica. Section E, Crystallographic communications 20150103 Pt 2

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. ...[more]

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