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3-[(4-Phenyl­piperazin-1-yl)meth­yl]-5-(thio­phen-2-yl)-2,3-di­hydro-1,3,4-oxa­diazole-2-thione

In the title compound, C(17)H(18)N(4)OS(2), the 2-thienyl ring is disordered over two co-planar, opposite orientations in a 0.684 (2): 0.316 ratio. The 1,3,4-oxa­diazole ring is almost co-planar with the attached 2-thienyl ring [dihedral angles of 5.34 (19) and 4.8 (5)° for the major and minor compo...

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Autores principales: El-Emam, Ali A., Al-Omar, Mohamed A., Al-Obaid, Abdul-Rahman M., Ng, Seik Weng, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647878/
https://www.ncbi.nlm.nih.gov/pubmed/23723844
http://dx.doi.org/10.1107/S1600536813009252
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author El-Emam, Ali A.
Al-Omar, Mohamed A.
Al-Obaid, Abdul-Rahman M.
Ng, Seik Weng
Tiekink, Edward R. T.
author_facet El-Emam, Ali A.
Al-Omar, Mohamed A.
Al-Obaid, Abdul-Rahman M.
Ng, Seik Weng
Tiekink, Edward R. T.
author_sort El-Emam, Ali A.
collection PubMed
description In the title compound, C(17)H(18)N(4)OS(2), the 2-thienyl ring is disordered over two co-planar, opposite orientations in a 0.684 (2): 0.316 ratio. The 1,3,4-oxa­diazole ring is almost co-planar with the attached 2-thienyl ring [dihedral angles of 5.34 (19) and 4.8 (5)° for the major and minor components, respectively]. The relative disposition of the thione- and ring-S atoms is anti for the major orientation of the 2-thienyl residue. Overall, the shape of the mol­ecule approximates the letter V. In the crystal, a three-dimensional architecture is consolidated by a combination of weak C—H⋯S and C—H⋯π contacts.
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spelling pubmed-36478782013-05-30 3-[(4-Phenyl­piperazin-1-yl)meth­yl]-5-(thio­phen-2-yl)-2,3-di­hydro-1,3,4-oxa­diazole-2-thione El-Emam, Ali A. Al-Omar, Mohamed A. Al-Obaid, Abdul-Rahman M. Ng, Seik Weng Tiekink, Edward R. T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(17)H(18)N(4)OS(2), the 2-thienyl ring is disordered over two co-planar, opposite orientations in a 0.684 (2): 0.316 ratio. The 1,3,4-oxa­diazole ring is almost co-planar with the attached 2-thienyl ring [dihedral angles of 5.34 (19) and 4.8 (5)° for the major and minor components, respectively]. The relative disposition of the thione- and ring-S atoms is anti for the major orientation of the 2-thienyl residue. Overall, the shape of the mol­ecule approximates the letter V. In the crystal, a three-dimensional architecture is consolidated by a combination of weak C—H⋯S and C—H⋯π contacts. International Union of Crystallography 2013-04-10 /pmc/articles/PMC3647878/ /pubmed/23723844 http://dx.doi.org/10.1107/S1600536813009252 Text en © El-Emam 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
El-Emam, Ali A.
Al-Omar, Mohamed A.
Al-Obaid, Abdul-Rahman M.
Ng, Seik Weng
Tiekink, Edward R. T.
3-[(4-Phenyl­piperazin-1-yl)meth­yl]-5-(thio­phen-2-yl)-2,3-di­hydro-1,3,4-oxa­diazole-2-thione
title 3-[(4-Phenyl­piperazin-1-yl)meth­yl]-5-(thio­phen-2-yl)-2,3-di­hydro-1,3,4-oxa­diazole-2-thione
title_full 3-[(4-Phenyl­piperazin-1-yl)meth­yl]-5-(thio­phen-2-yl)-2,3-di­hydro-1,3,4-oxa­diazole-2-thione
title_fullStr 3-[(4-Phenyl­piperazin-1-yl)meth­yl]-5-(thio­phen-2-yl)-2,3-di­hydro-1,3,4-oxa­diazole-2-thione
title_full_unstemmed 3-[(4-Phenyl­piperazin-1-yl)meth­yl]-5-(thio­phen-2-yl)-2,3-di­hydro-1,3,4-oxa­diazole-2-thione
title_short 3-[(4-Phenyl­piperazin-1-yl)meth­yl]-5-(thio­phen-2-yl)-2,3-di­hydro-1,3,4-oxa­diazole-2-thione
title_sort 3-[(4-phenyl­piperazin-1-yl)meth­yl]-5-(thio­phen-2-yl)-2,3-di­hydro-1,3,4-oxa­diazole-2-thione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3647878/
https://www.ncbi.nlm.nih.gov/pubmed/23723844
http://dx.doi.org/10.1107/S1600536813009252
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