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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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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. |
format | Online Article Text |
id | pubmed-3647878 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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