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International Union of Crystallography, Acta Crystallographica Section E: Structure Reports Online, 9(68), p. o2700-o2701, 2012

DOI: 10.1107/s1600536812034691

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

Journal article published in 2012 by Bing Liu, João P. C. Tomé ORCID, Luís Cunha-Silva ORCID, Filipe A. Almeida Paz
This paper is made freely available by the publisher.
This paper is made freely available by the publisher.

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Abstract

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.