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

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

The asymmetric unit of the title compound, C4H5N7, 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 b...

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Main Authors: Bing Liu, João P. C. Tomé, Luís Cunha-Silva, Filipe A. Almeida Paz
Format: Article
Language:English
Published: International Union of Crystallography 2012-09-01
Series:Acta Crystallographica Section E
Online Access:http://scripts.iucr.org/cgi-bin/paper?S1600536812034691
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spelling doaj-b6080238f6264c3da65c4e43e62440012020-11-25T02:43:26ZengInternational Union of CrystallographyActa Crystallographica Section E1600-53682012-09-01689o2700o270110.1107/S16005368120346915-Amino-3-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazoleBing LiuJoão P. C. ToméLuís Cunha-SilvaFilipe A. Almeida PazThe asymmetric unit of the title compound, C4H5N7, 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.http://scripts.iucr.org/cgi-bin/paper?S1600536812034691
collection DOAJ
language English
format Article
sources DOAJ
author Bing Liu
João P. C. Tomé
Luís Cunha-Silva
Filipe A. Almeida Paz
spellingShingle Bing Liu
João P. C. Tomé
Luís Cunha-Silva
Filipe A. Almeida Paz
5-Amino-3-(4H-1,2,4-triazol-4-yl)-1H-1,2,4-triazole
Acta Crystallographica Section E
author_facet Bing Liu
João P. C. Tomé
Luís Cunha-Silva
Filipe A. Almeida Paz
author_sort Bing Liu
title 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_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_sort 5-amino-3-(4h-1,2,4-triazol-4-yl)-1h-1,2,4-triazole
publisher International Union of Crystallography
series Acta Crystallographica Section E
issn 1600-5368
publishDate 2012-09-01
description The asymmetric unit of the title compound, C4H5N7, 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.
url http://scripts.iucr.org/cgi-bin/paper?S1600536812034691
work_keys_str_mv AT bingliu 5amino34h124triazol4yl1h124triazole
AT joamp227opctomamp233 5amino34h124triazol4yl1h124triazole
AT luamp237scunhasilva 5amino34h124triazol4yl1h124triazole
AT filipeaalmeidapaz 5amino34h124triazol4yl1h124triazole
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