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

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Version 1 2015-08-18, 12:35
journal contribution
posted on 2024-06-03, 10:51 authored by MT Thornton, PC Healy, Luke HendersonLuke Henderson
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 inter-actions.

History

Journal

Acta crystallographica. Section E, structure reports online

Volume

E69

Season

Article Number : o1407

Article number

o1407

Pagination

1-8

Location

Chester, Eng.

Open access

  • Yes

ISSN

1600-5368

eISSN

1600-5368

Language

eng

Publication classification

C Journal article, C1.1 Refereed article in a scholarly journal

Copyright notice

2013, International Union of Crystallography

Publisher

International Union of Crystallography

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