henderson-3benzhydryl134-2013.pdf (352.87 kB)
3-Benzhydryl-1,3,4-thia-diazole-2(3H)-thione
journal contribution
posted on 2013-01-01, 00:00 authored by Megan Thornton, P C Healy, Luke HendersonLuke HendersonIn 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 onlineVolume
E69Season
Article Number : o1407Article number
o1407Pagination
1 - 8Publisher
International Union of CrystallographyLocation
Chester, Eng.Publisher DOI
Link to full text
ISSN
1600-5368eISSN
1600-5368Language
engPublication classification
C Journal article; C1.1 Refereed article in a scholarly journalCopyright notice
2013, International Union of CrystallographyUsage metrics
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