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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...

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Autores principales: Vu Quoc, Trung, Nguyen Ngoc, Linh, Do Truc, Vy, Duong Khanh, Linh, Ha Manh, Hung, Thang Pham, Chien, Van Meervelt, Luc
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
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.
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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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