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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⋯π(ring) and π-π 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-(9<i>H</i>-carbazol-9-yl)eth-yl]-1,3,4-oxa-diazole-2(3<i>H</i>)-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, C<sub>16</sub>H<sub>13</sub>N<sub>3</sub>OS, 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 <i>b</i>-axis direction. ...[more]

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