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3-Methyl-4-[(E)-3-thienylmethylideneamino]-1H-1,2,4-triazole-5(4H)-thione
The asymmetric unit of the title compound, C(8)H(8)N(4)S(2), contains two crystallographically independent molecules. The thiophene ring of one molecule is disordered over two positions with refined site occupancies of 0.6375 (19) and 0.3625 (19). One molecule is almost planar and the other one...
Autores principales: | , , , , |
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Formato: | Texto |
Lenguaje: | English |
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International Union of Crystallography
2010
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009062/ https://www.ncbi.nlm.nih.gov/pubmed/21589044 http://dx.doi.org/10.1107/S1600536810041152 |
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author | Asad, Mohammad Oo, Chuan-Wei Osman, Hasnah Yeap, Chin Sing Fun, Hoong-Kun |
author_facet | Asad, Mohammad Oo, Chuan-Wei Osman, Hasnah Yeap, Chin Sing Fun, Hoong-Kun |
author_sort | Asad, Mohammad |
collection | PubMed |
description | The asymmetric unit of the title compound, C(8)H(8)N(4)S(2), contains two crystallographically independent molecules. The thiophene ring of one molecule is disordered over two positions with refined site occupancies of 0.6375 (19) and 0.3625 (19). One molecule is almost planar and the other one is twisted, the dihedral angles between the thiophene and triazole rings being 7.28 (7) and 48.9 (2)° [48.5 (4)° for the minor component], respectively. An intramolecular C—H⋯S hydrogen bond stabilizes the molecular conformation of the planar molecule. In the crystal, the two molecules are interconnected by N—H⋯S hydrogen bonds into dimers, which are further consolidated into chains along the b axis by C—H⋯N hydrogen bonds. Weak C–H⋯π and π–π interactions [centroid–centroid distance = 3.5149 (7) Å] are also observed. |
format | Text |
id | pubmed-3009062 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2010 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-30090622010-12-30 3-Methyl-4-[(E)-3-thienylmethylideneamino]-1H-1,2,4-triazole-5(4H)-thione Asad, Mohammad Oo, Chuan-Wei Osman, Hasnah Yeap, Chin Sing Fun, Hoong-Kun Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(8)H(8)N(4)S(2), contains two crystallographically independent molecules. The thiophene ring of one molecule is disordered over two positions with refined site occupancies of 0.6375 (19) and 0.3625 (19). One molecule is almost planar and the other one is twisted, the dihedral angles between the thiophene and triazole rings being 7.28 (7) and 48.9 (2)° [48.5 (4)° for the minor component], respectively. An intramolecular C—H⋯S hydrogen bond stabilizes the molecular conformation of the planar molecule. In the crystal, the two molecules are interconnected by N—H⋯S hydrogen bonds into dimers, which are further consolidated into chains along the b axis by C—H⋯N hydrogen bonds. Weak C–H⋯π and π–π interactions [centroid–centroid distance = 3.5149 (7) Å] are also observed. International Union of Crystallography 2010-10-20 /pmc/articles/PMC3009062/ /pubmed/21589044 http://dx.doi.org/10.1107/S1600536810041152 Text en © Asad et al. 2010 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 Asad, Mohammad Oo, Chuan-Wei Osman, Hasnah Yeap, Chin Sing Fun, Hoong-Kun 3-Methyl-4-[(E)-3-thienylmethylideneamino]-1H-1,2,4-triazole-5(4H)-thione |
title | 3-Methyl-4-[(E)-3-thienylmethylideneamino]-1H-1,2,4-triazole-5(4H)-thione |
title_full | 3-Methyl-4-[(E)-3-thienylmethylideneamino]-1H-1,2,4-triazole-5(4H)-thione |
title_fullStr | 3-Methyl-4-[(E)-3-thienylmethylideneamino]-1H-1,2,4-triazole-5(4H)-thione |
title_full_unstemmed | 3-Methyl-4-[(E)-3-thienylmethylideneamino]-1H-1,2,4-triazole-5(4H)-thione |
title_short | 3-Methyl-4-[(E)-3-thienylmethylideneamino]-1H-1,2,4-triazole-5(4H)-thione |
title_sort | 3-methyl-4-[(e)-3-thienylmethylideneamino]-1h-1,2,4-triazole-5(4h)-thione |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3009062/ https://www.ncbi.nlm.nih.gov/pubmed/21589044 http://dx.doi.org/10.1107/S1600536810041152 |
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