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3-[(N-Methylanilino)methyl]-5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3H)-thione
In the title compound, C(14)H(13)N(3)OS(2), the thiophene ring is disordered over two orientations by ca 180° about the C—C bond axis linking the ring to the rest of the molecule, with a site-occupancy ratio of 0.651 (5):0.349 (5). The central 1,3,4-oxadiazole-2(3H)-thione ring forms dihedral angl...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344480/ https://www.ncbi.nlm.nih.gov/pubmed/22590242 http://dx.doi.org/10.1107/S1600536812014419 |
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author | El-Emam, Ali A. Al-Omar, Mohamed A. Ghabbour, Hazem A. Fun, Hoong-Kun Chia, Tze Shyang |
author_facet | El-Emam, Ali A. Al-Omar, Mohamed A. Ghabbour, Hazem A. Fun, Hoong-Kun Chia, Tze Shyang |
author_sort | El-Emam, Ali A. |
collection | PubMed |
description | In the title compound, C(14)H(13)N(3)OS(2), the thiophene ring is disordered over two orientations by ca 180° about the C—C bond axis linking the ring to the rest of the molecule, with a site-occupancy ratio of 0.651 (5):0.349 (5). The central 1,3,4-oxadiazole-2(3H)-thione ring forms dihedral angles of 9.2 (5), 4.6 (11) and 47.70 (7)° with the major and minor parts of the disordered thiophene ring and the terminal phenyl ring, respectively. In the crystal, no significant intermolecular hydrogen bonds are observed. The crystal packing is stabilized by π–π interactions [centroid–centroid distance = 3.589 (2) Å]. |
format | Online Article Text |
id | pubmed-3344480 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2012 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-33444802012-05-15 3-[(N-Methylanilino)methyl]-5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3H)-thione El-Emam, Ali A. Al-Omar, Mohamed A. Ghabbour, Hazem A. Fun, Hoong-Kun Chia, Tze Shyang Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(14)H(13)N(3)OS(2), the thiophene ring is disordered over two orientations by ca 180° about the C—C bond axis linking the ring to the rest of the molecule, with a site-occupancy ratio of 0.651 (5):0.349 (5). The central 1,3,4-oxadiazole-2(3H)-thione ring forms dihedral angles of 9.2 (5), 4.6 (11) and 47.70 (7)° with the major and minor parts of the disordered thiophene ring and the terminal phenyl ring, respectively. In the crystal, no significant intermolecular hydrogen bonds are observed. The crystal packing is stabilized by π–π interactions [centroid–centroid distance = 3.589 (2) Å]. International Union of Crystallography 2012-04-13 /pmc/articles/PMC3344480/ /pubmed/22590242 http://dx.doi.org/10.1107/S1600536812014419 Text en © El-Emam et al. 2012 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. Ghabbour, Hazem A. Fun, Hoong-Kun Chia, Tze Shyang 3-[(N-Methylanilino)methyl]-5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3H)-thione |
title | 3-[(N-Methylanilino)methyl]-5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3H)-thione |
title_full | 3-[(N-Methylanilino)methyl]-5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3H)-thione |
title_fullStr | 3-[(N-Methylanilino)methyl]-5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3H)-thione |
title_full_unstemmed | 3-[(N-Methylanilino)methyl]-5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3H)-thione |
title_short | 3-[(N-Methylanilino)methyl]-5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3H)-thione |
title_sort | 3-[(n-methylanilino)methyl]-5-(thiophen-2-yl)-1,3,4-oxadiazole-2(3h)-thione |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3344480/ https://www.ncbi.nlm.nih.gov/pubmed/22590242 http://dx.doi.org/10.1107/S1600536812014419 |
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