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3-Benzhydryl-1,3,4-thia-diazole-2(3H)-thione.

ABSTRACT: In the title compound, C15H12N2S2, the two phenyl rings and the planar (r.m.s. deviation = 0.002?Å) thia-diazole ring adopt a propeller conformation about the central C-H axis with H-C-C-C(phen-yl) torsion angles of 44 and 42° and an H-C-N-C(thia-diazole) torsion angle of 28°. Intra-molecular C-H?S and C-H?N contacts are observed. In the crystal, centrosymmetrically related mol-ecules associate through C-H?? inter-actions. These are connected into a supra-molecular chain along [101] by C-H?N inter-actions.

SUBMITTER: Thornton MT

PROVIDER: S-EPMC3884419 | biostudies-literature | 2013

REPOSITORIES: biostudies-literature

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3-Benzhydryl-1,3,4-thia-diazole-2(3H)-thione.

Thornton Megan T MT Healy Peter C PC Henderson Luke C LC

Acta crystallographica. Section E, Structure reports online 20130810 Pt 9

In the title compound, C15H12N2S2, the two phenyl rings and the planar (r.m.s. deviation = 0.002 Å) thia-diazole ring adopt a propeller conformation about the central C-H axis with H-C-C-C(phen-yl) torsion angles of 44 and 42° and an H-C-N-C(thia-diazole) torsion angle of 28°. Intra-molecular C-H⋯S and C-H⋯N contacts are observed. In the crystal, centrosymmetrically related mol-ecules associate through C-H⋯π inter-actions. These are connected into a supra-molecular chain along [101] by C-H⋯N int ...[more]

PMID: 24427045

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