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

Thornton, Megan T., Healy, Peter C. and Henderson, Luke C. 2013, 3-Benzhydryl-1,3,4-thia-diazole-2(3H)-thione, Acta crystallographica. Section E, structure reports online, vol. E69, Article Number : o1407, pp. 1-8, doi: 10.1107/S1600536813021867.

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Title 3-Benzhydryl-1,3,4-thia-diazole-2(3H)-thione
Author(s) Thornton, Megan T.ORCID iD for Thornton, Megan T. orcid.org/0000-0003-0722-0906
Healy, Peter C.
Henderson, Luke C.ORCID iD for Henderson, Luke C. orcid.org/0000-0002-4244-2056
Journal name Acta crystallographica. Section E, structure reports online
Volume number E69
Season Article Number : o1407
Start page 1
End page 8
Total pages 8
Publisher International Union of Crystallography
Place of publication Chester, Eng.
Publication date 2013
ISSN 1600-5368
Summary 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.
Language eng
DOI 10.1107/S1600536813021867
Field of Research 030503 Organic Chemical Synthesis
Socio Economic Objective 970103 Expanding Knowledge in the Chemical Sciences
HERDC Research category C1.1 Refereed article in a scholarly journal
ERA Research output type C Journal article
Copyright notice ©2013, International Union of Crystallography
Persistent URL http://hdl.handle.net/10536/DRO/DU:30075583

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