3-Benzhydryl-1,3,4-thia­diazole-2(3H)-thione

In the title compound, C(15)H(12)N(2)S(2), the two phenyl rings and the planar (r.m.s. deviation = 0.002 Å) thia­diazole ring adopt a propeller conformation about the central C—H axis with H—C—C—C(phen­yl) torsion angles of 44 and 42° and an H—C—N—C(thia­diazole) torsion angle of 28°. Intra­molecula...

Descripción completa

Detalles Bibliográficos
Autores principales: Thornton, Megan T., Healy, Peter C., Henderson, Luke C.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884419/
https://www.ncbi.nlm.nih.gov/pubmed/24427045
http://dx.doi.org/10.1107/S1600536813021867
_version_ 1782298586348781568
author Thornton, Megan T.
Healy, Peter C.
Henderson, Luke C.
author_facet Thornton, Megan T.
Healy, Peter C.
Henderson, Luke C.
author_sort Thornton, Megan T.
collection PubMed
description In the title compound, C(15)H(12)N(2)S(2), the two phenyl rings and the planar (r.m.s. deviation = 0.002 Å) thia­diazole ring adopt a propeller conformation about the central C—H axis with H—C—C—C(phen­yl) torsion angles of 44 and 42° and an H—C—N—C(thia­diazole) torsion angle of 28°. Intra­molecular C—H⋯S and C—H⋯N contacts are observed. In the crystal, centrosymmetrically related mol­ecules associate through C—H⋯π inter­actions. These are connected into a supra­molecular chain along [101] by C—H⋯N inter­actions.
format Online
Article
Text
id pubmed-3884419
institution National Center for Biotechnology Information
language English
publishDate 2013
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-38844192014-01-14 3-Benzhydryl-1,3,4-thia­diazole-2(3H)-thione Thornton, Megan T. Healy, Peter C. Henderson, Luke C. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(15)H(12)N(2)S(2), the two phenyl rings and the planar (r.m.s. deviation = 0.002 Å) thia­diazole ring adopt a propeller conformation about the central C—H axis with H—C—C—C(phen­yl) torsion angles of 44 and 42° and an H—C—N—C(thia­diazole) torsion angle of 28°. Intra­molecular C—H⋯S and C—H⋯N contacts are observed. In the crystal, centrosymmetrically related mol­ecules associate through C—H⋯π inter­actions. These are connected into a supra­molecular chain along [101] by C—H⋯N inter­actions. International Union of Crystallography 2013-08-10 /pmc/articles/PMC3884419/ /pubmed/24427045 http://dx.doi.org/10.1107/S1600536813021867 Text en © Thornton et al. 2013 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Organic Papers
Thornton, Megan T.
Healy, Peter C.
Henderson, Luke C.
3-Benzhydryl-1,3,4-thia­diazole-2(3H)-thione
title 3-Benzhydryl-1,3,4-thia­diazole-2(3H)-thione
title_full 3-Benzhydryl-1,3,4-thia­diazole-2(3H)-thione
title_fullStr 3-Benzhydryl-1,3,4-thia­diazole-2(3H)-thione
title_full_unstemmed 3-Benzhydryl-1,3,4-thia­diazole-2(3H)-thione
title_short 3-Benzhydryl-1,3,4-thia­diazole-2(3H)-thione
title_sort 3-benzhydryl-1,3,4-thia­diazole-2(3h)-thione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884419/
https://www.ncbi.nlm.nih.gov/pubmed/24427045
http://dx.doi.org/10.1107/S1600536813021867
work_keys_str_mv AT thorntonmegant 3benzhydryl134thiadiazole23hthione
AT healypeterc 3benzhydryl134thiadiazole23hthione
AT hendersonlukec 3benzhydryl134thiadiazole23hthione

Ejemplares similares