3-(4-Nitro­phen­yl)-1H-1,2,4-triazole-5(4H)-thione

In the title compound, C(8)H(6)N(4)O(2)S, the 1,2,4-triazole ring and the nitro group form dihedral angles of 6.26 (13) and 9.5 (3)°, respectively, with the phenyl ring. In the crystal, the mol­ecules are linked via pairs of N—H⋯S hydrogen bonds, generating [010] chains which contain R (2) (2) (8) r...

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Autores principales: Fun, Hoong-Kun, Quah, Ching Kheng, Nithinchandra, Kalluraya, Balakrishna
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2011
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200626/
https://www.ncbi.nlm.nih.gov/pubmed/22065655
http://dx.doi.org/10.1107/S1600536811033952
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author Fun, Hoong-Kun
Quah, Ching Kheng
Nithinchandra,
Kalluraya, Balakrishna
author_facet Fun, Hoong-Kun
Quah, Ching Kheng
Nithinchandra,
Kalluraya, Balakrishna
author_sort Fun, Hoong-Kun
collection PubMed
description In the title compound, C(8)H(6)N(4)O(2)S, the 1,2,4-triazole ring and the nitro group form dihedral angles of 6.26 (13) and 9.5 (3)°, respectively, with the phenyl ring. In the crystal, the mol­ecules are linked via pairs of N—H⋯S hydrogen bonds, generating [010] chains which contain R (2) (2) (8) ring motifs. The crystal structure is further stabilized by π–π stacking [centroid–centroid distance = 3.5491 (14) Å] inter­actions.
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spelling pubmed-32006262011-11-06 3-(4-Nitro­phen­yl)-1H-1,2,4-triazole-5(4H)-thione Fun, Hoong-Kun Quah, Ching Kheng Nithinchandra, Kalluraya, Balakrishna Acta Crystallogr Sect E Struct Rep Online Organic Papers In the title compound, C(8)H(6)N(4)O(2)S, the 1,2,4-triazole ring and the nitro group form dihedral angles of 6.26 (13) and 9.5 (3)°, respectively, with the phenyl ring. In the crystal, the mol­ecules are linked via pairs of N—H⋯S hydrogen bonds, generating [010] chains which contain R (2) (2) (8) ring motifs. The crystal structure is further stabilized by π–π stacking [centroid–centroid distance = 3.5491 (14) Å] inter­actions. International Union of Crystallography 2011-08-27 /pmc/articles/PMC3200626/ /pubmed/22065655 http://dx.doi.org/10.1107/S1600536811033952 Text en © Fun et al. 2011 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
Fun, Hoong-Kun
Quah, Ching Kheng
Nithinchandra,
Kalluraya, Balakrishna
3-(4-Nitro­phen­yl)-1H-1,2,4-triazole-5(4H)-thione
title 3-(4-Nitro­phen­yl)-1H-1,2,4-triazole-5(4H)-thione
title_full 3-(4-Nitro­phen­yl)-1H-1,2,4-triazole-5(4H)-thione
title_fullStr 3-(4-Nitro­phen­yl)-1H-1,2,4-triazole-5(4H)-thione
title_full_unstemmed 3-(4-Nitro­phen­yl)-1H-1,2,4-triazole-5(4H)-thione
title_short 3-(4-Nitro­phen­yl)-1H-1,2,4-triazole-5(4H)-thione
title_sort 3-(4-nitro­phen­yl)-1h-1,2,4-triazole-5(4h)-thione
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3200626/
https://www.ncbi.nlm.nih.gov/pubmed/22065655
http://dx.doi.org/10.1107/S1600536811033952
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