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Crystal structure of 4-amino-3-(thiophen-3-ylmethyl)-1H-1,2,4-triazole-5(4H)-thione
In the title compound, C(7)H(8)N(4)S(2), the thiophene ring shows rotational disorder over two orientations in a 0.6957 (15):0.3043 (15) ratio. The plane of the 1,2,4-triazole ring makes a dihedral angle of 75.02 (17)° with the major-disorder component of the thiophene ring. In the crystal, two typ...
Autores principales: | , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5588588/ https://www.ncbi.nlm.nih.gov/pubmed/28932482 http://dx.doi.org/10.1107/S2056989017012191 |
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author | Vu Quoc, Trung Nguyen Ngoc, Linh Do Truc, Vy Duong Khanh, Linh Ha Manh, Hung Thang Pham, Chien Van Meervelt, Luc |
author_facet | Vu Quoc, Trung Nguyen Ngoc, Linh Do Truc, Vy Duong Khanh, Linh Ha Manh, Hung Thang Pham, Chien Van Meervelt, Luc |
author_sort | Vu Quoc, Trung |
collection | PubMed |
description | In the title compound, C(7)H(8)N(4)S(2), the thiophene ring shows rotational disorder over two orientations in a 0.6957 (15):0.3043 (15) ratio. The plane of the 1,2,4-triazole ring makes a dihedral angle of 75.02 (17)° with the major-disorder component of the thiophene ring. In the crystal, two types of inversion dimers, described by the graph-set motifs R (2) (2)(8) and R (2) (2)(10), are formed by N—H⋯S interactions. Chains of molecules running in the [101] direction are linked by weaker N—H⋯N interactions. The thiophene ring is involved in π–π and C—H⋯π interactions. |
format | Online Article Text |
id | pubmed-5588588 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-55885882017-09-20 Crystal structure of 4-amino-3-(thiophen-3-ylmethyl)-1H-1,2,4-triazole-5(4H)-thione Vu Quoc, Trung Nguyen Ngoc, Linh Do Truc, Vy Duong Khanh, Linh Ha Manh, Hung Thang Pham, Chien Van Meervelt, Luc Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(7)H(8)N(4)S(2), the thiophene ring shows rotational disorder over two orientations in a 0.6957 (15):0.3043 (15) ratio. The plane of the 1,2,4-triazole ring makes a dihedral angle of 75.02 (17)° with the major-disorder component of the thiophene ring. In the crystal, two types of inversion dimers, described by the graph-set motifs R (2) (2)(8) and R (2) (2)(10), are formed by N—H⋯S interactions. Chains of molecules running in the [101] direction are linked by weaker N—H⋯N interactions. The thiophene ring is involved in π–π and C—H⋯π interactions. International Union of Crystallography 2017-08-30 /pmc/articles/PMC5588588/ /pubmed/28932482 http://dx.doi.org/10.1107/S2056989017012191 Text en © Vu Quoc et al. 2017 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/ |
spellingShingle | Research Communications Vu Quoc, Trung Nguyen Ngoc, Linh Do Truc, Vy Duong Khanh, Linh Ha Manh, Hung Thang Pham, Chien Van Meervelt, Luc Crystal structure of 4-amino-3-(thiophen-3-ylmethyl)-1H-1,2,4-triazole-5(4H)-thione |
title | Crystal structure of 4-amino-3-(thiophen-3-ylmethyl)-1H-1,2,4-triazole-5(4H)-thione |
title_full | Crystal structure of 4-amino-3-(thiophen-3-ylmethyl)-1H-1,2,4-triazole-5(4H)-thione |
title_fullStr | Crystal structure of 4-amino-3-(thiophen-3-ylmethyl)-1H-1,2,4-triazole-5(4H)-thione |
title_full_unstemmed | Crystal structure of 4-amino-3-(thiophen-3-ylmethyl)-1H-1,2,4-triazole-5(4H)-thione |
title_short | Crystal structure of 4-amino-3-(thiophen-3-ylmethyl)-1H-1,2,4-triazole-5(4H)-thione |
title_sort | crystal structure of 4-amino-3-(thiophen-3-ylmethyl)-1h-1,2,4-triazole-5(4h)-thione |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5588588/ https://www.ncbi.nlm.nih.gov/pubmed/28932482 http://dx.doi.org/10.1107/S2056989017012191 |
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