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

abstract

The asymmetric unit of the title compound, C4H5N 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 supra-molecular 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 ) but highly directional (inter-action angles above ca 173¡) hydrogen bonds forming a supra-molecular layer in the bc plane.

authors

Liu B.; TomŽ J.P.C.; Cunha-Silva L.; Almeida Paz F.A.

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