5-Amino-3-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazole

The asymmetric unit of the title compound, C(4)H(5)N(7), comprises two independent but virtually superimposable mol­ecules. Each mol­ecule is planar with the dihedral angles between the five-membered rings being 2.8 (3) and 2.1 (3)°. The crystal structure is formed by an extensive network of relativ...

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Detalles Bibliográficos
Autores principales: Liu, Bing, Tomé, João P. C., Cunha-Silva, Luís, Almeida Paz, Filipe A.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435720/
https://www.ncbi.nlm.nih.gov/pubmed/22969591
http://dx.doi.org/10.1107/S1600536812034691
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author Liu, Bing
Tomé, João P. C.
Cunha-Silva, Luís
Almeida Paz, Filipe A.
author_facet Liu, Bing
Tomé, João P. C.
Cunha-Silva, Luís
Almeida Paz, Filipe A.
author_sort Liu, Bing
collection PubMed
description The asymmetric unit of the title compound, C(4)H(5)N(7), comprises two independent but virtually superimposable mol­ecules. Each mol­ecule is planar with the dihedral angles between the five-membered rings being 2.8 (3) and 2.1 (3)°. The crystal structure is formed by an extensive network of relatively strong N—H⋯N hydrogen-bond inter­actions. Individual mol­ecules are arranged into supra­molecular zigzag chains running parallel to [001] by way of the strongest N—H⋯N inter­actions. Adjacent chains are inter­connected by rather long (D⋯A distances range from ca 3.00 to 3.03 Å) but highly directional (inter­action angles above ca 173°) hydrogen bonds forming a supra­molecular layer in the bc plane.
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spelling pubmed-34357202012-09-11 5-Amino-3-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazole Liu, Bing Tomé, João P. C. Cunha-Silva, Luís Almeida Paz, Filipe A. Acta Crystallogr Sect E Struct Rep Online Organic Papers The asymmetric unit of the title compound, C(4)H(5)N(7), comprises two independent but virtually superimposable mol­ecules. Each mol­ecule is planar with the dihedral angles between the five-membered rings being 2.8 (3) and 2.1 (3)°. The crystal structure is formed by an extensive network of relatively strong N—H⋯N hydrogen-bond inter­actions. Individual mol­ecules are arranged into supra­molecular zigzag chains running parallel to [001] by way of the strongest N—H⋯N inter­actions. Adjacent chains are inter­connected by rather long (D⋯A distances range from ca 3.00 to 3.03 Å) but highly directional (inter­action angles above ca 173°) hydrogen bonds forming a supra­molecular layer in the bc plane. International Union of Crystallography 2012-08-11 /pmc/articles/PMC3435720/ /pubmed/22969591 http://dx.doi.org/10.1107/S1600536812034691 Text en © Liu et al. 2012 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
Liu, Bing
Tomé, João P. C.
Cunha-Silva, Luís
Almeida Paz, Filipe A.
5-Amino-3-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazole
title 5-Amino-3-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazole
title_full 5-Amino-3-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazole
title_fullStr 5-Amino-3-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazole
title_full_unstemmed 5-Amino-3-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazole
title_short 5-Amino-3-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazole
title_sort 5-amino-3-(4h-1,2,4-triazol-4-yl)-1h-1,2,4-triazole
topic Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3435720/
https://www.ncbi.nlm.nih.gov/pubmed/22969591
http://dx.doi.org/10.1107/S1600536812034691
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