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Crystal structure of 5-[2-(9H-carbazol-9-yl)eth-yl]-1,3,4-oxa-diazole-2(3H)-thione.

ABSTRACT: The title compound, C₁₆H₁₃N₃OS, comprises an oxa-diazo-lethione ring bound to the N atom of an almost planar carbazole ring system (r.m.s. deviation = 0.0088?Å) through an ethyl-ene chain. The oxa-diazole ring is inclined to the the carbazole ring system by 40.71?(6)°. In the crystal, N-H?O, N-H?S, C-H?N and C-H?S hydrogen bonds combine with C-H??(ring) and ?-? contacts to stack the mol-ecules along the b-axis direction.

SUBMITTER: Simpson J

PROVIDER: S-EPMC5499292 | biostudies-literature | 2017 Jul

REPOSITORIES: biostudies-literature

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Crystal structure of 5-[2-(9H-carbazol-9-yl)eth-yl]-1,3,4-oxa-diazole-2(3H)-thione.

Simpson Jim J Mohamed Shaaban K SK El-Emary Talaat I TI Albayati Mustafa R MR

Acta crystallographica. Section E, Crystallographic communications 20170623 Pt 7

The title compound, C16H13N3OS, comprises an oxa-diazo-lethione ring bound to the N atom of an almost planar carbazole ring system (r.m.s. deviation = 0.0088 Å) through an ethyl-ene chain. The oxa-diazole ring is inclined to the the carbazole ring system by 40.71 (6)°. In the crystal, N-H⋯O, N-H⋯S, C-H⋯N and C-H⋯S hydrogen bonds combine with C-H⋯π(ring) and π-π contacts to stack the mol-ecules along the b-axis direction. ...[more]

PMID: 28775884

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