2,2′-(4-Amino-4H-1,2,4-triazole-3,5-di­yl)diphenol

The structure of the title compound, C(14)H(12)N(4)O(2), was determined as part of a project on the coordination chemistry of 1,2,4-triazole derivatives. In the crystal structure, one of the two benzene rings is almost coplanar with the five-membered triazole ring (mean deviation = 0.019 Å), whereas...

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Detalles Bibliográficos
Autores principales: Chen, Sheng-Hui, Zhang, Gao-Yong, Dong, Jin-Feng
Formato: Texto
Lenguaje:English
Publicado: International Union of Crystallography 2010
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979808/
https://www.ncbi.nlm.nih.gov/pubmed/21579760
http://dx.doi.org/10.1107/S1600536809055536
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author Chen, Sheng-Hui
Zhang, Gao-Yong
Dong, Jin-Feng
author_facet Chen, Sheng-Hui
Zhang, Gao-Yong
Dong, Jin-Feng
author_sort Chen, Sheng-Hui
collection PubMed
description The structure of the title compound, C(14)H(12)N(4)O(2), was determined as part of a project on the coordination chemistry of 1,2,4-triazole derivatives. In the crystal structure, one of the two benzene rings is almost coplanar with the five-membered triazole ring (mean deviation = 0.019 Å), whereas the second benzene ring is rotated by 51.973 (2)°. The two N—C—N—N torsion angles [170.365 (2) and −170.942 (3)°] indicate that the amido group is slightly twisted away from the triazole plane. An intra­molecular O—H⋯N hydrogen bond occurs. In the crystal structure, inter­molecular N—H⋯O and O—H⋯N hydrogen bonding is found.
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spelling pubmed-29798082010-12-30 2,2′-(4-Amino-4H-1,2,4-triazole-3,5-di­yl)diphenol Chen, Sheng-Hui Zhang, Gao-Yong Dong, Jin-Feng Acta Crystallogr Sect E Struct Rep Online Organic Papers The structure of the title compound, C(14)H(12)N(4)O(2), was determined as part of a project on the coordination chemistry of 1,2,4-triazole derivatives. In the crystal structure, one of the two benzene rings is almost coplanar with the five-membered triazole ring (mean deviation = 0.019 Å), whereas the second benzene ring is rotated by 51.973 (2)°. The two N—C—N—N torsion angles [170.365 (2) and −170.942 (3)°] indicate that the amido group is slightly twisted away from the triazole plane. An intra­molecular O—H⋯N hydrogen bond occurs. In the crystal structure, inter­molecular N—H⋯O and O—H⋯N hydrogen bonding is found. International Union of Crystallography 2010-01-09 /pmc/articles/PMC2979808/ /pubmed/21579760 http://dx.doi.org/10.1107/S1600536809055536 Text en © Chen 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
Chen, Sheng-Hui
Zhang, Gao-Yong
Dong, Jin-Feng
2,2′-(4-Amino-4H-1,2,4-triazole-3,5-di­yl)diphenol
title 2,2′-(4-Amino-4H-1,2,4-triazole-3,5-di­yl)diphenol
title_full 2,2′-(4-Amino-4H-1,2,4-triazole-3,5-di­yl)diphenol
title_fullStr 2,2′-(4-Amino-4H-1,2,4-triazole-3,5-di­yl)diphenol
title_full_unstemmed 2,2′-(4-Amino-4H-1,2,4-triazole-3,5-di­yl)diphenol
title_short 2,2′-(4-Amino-4H-1,2,4-triazole-3,5-di­yl)diphenol
title_sort 2,2′-(4-amino-4h-1,2,4-triazole-3,5-di­yl)diphenol
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC2979808/
https://www.ncbi.nlm.nih.gov/pubmed/21579760
http://dx.doi.org/10.1107/S1600536809055536
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