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

ABSTRACT: The asymmetric unit of the title compound, C(4)H(5)N(7), comprises two independent but virtually superimposable mol-ecules. Each mol-ecule 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 inter-actions. Individual mol-ecules are arranged into supra-molecular zigzag chains running parallel to [001] by way of the strongest N-H?N inter-actions. Adjacent chains are inter-connected by rather long (D?A distances range from ca 3.00 to 3.03?Å) but highly directional (inter-action angles above ca 173°) hydrogen bonds forming a supra-molecular layer in the bc plane.

SUBMITTER: Liu B

PROVIDER: S-EPMC3435720 | biostudies-literature | 2012 Sep

REPOSITORIES: biostudies-literature

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

Liu Bing B Tomé João P C JP Cunha-Silva Luís L Almeida Paz Filipe A FA

Acta crystallographica. Section E, Structure reports online 20120811 Pt 9

The asymmetric unit of the title compound, C(4)H(5)N(7), comprises two independent but virtually superimposable mol-ecules. Each mol-ecule 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 inter-actions. Individual mol-ecules are arranged into supra-molecular zigzag chains running parallel to [001] by way of the strongest N-H⋯N inter-actions. Adjacent chai ...[more]

PMID: 22969591

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