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3-Nitro-1H-1,2,4-triazole.

ABSTRACT: The asymmetric unit of the title compound, C(2)H(2)N(4)O(2), contains two crystallographically independent mol-ecules in which the triazole rings are essentially planar, with maximum deviations of 0.003?(1)?Å in both molecules. The dihedral angle between the two 1H-1,2,4-triazole rings is 56.58?(5)°. In the crystal, mol-ecules are linked via inter-molecular N-H?N and C-H?O hydrogen bonds, forming a supra-molecular chain along the b axis.

SUBMITTER: Hemamalini M

PROVIDER: S-EPMC3050167 | biostudies-literature | 2010 Dec

REPOSITORIES: biostudies-literature

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3-Nitro-1H-1,2,4-triazole.

Hemamalini Madhukar M Fun Hoong-Kun HK

Acta crystallographica. Section E, Structure reports online 20101204 Pt 1

The asymmetric unit of the title compound, C(2)H(2)N(4)O(2), contains two crystallographically independent mol-ecules in which the triazole rings are essentially planar, with maximum deviations of 0.003 (1) Å in both molecules. The dihedral angle between the two 1H-1,2,4-triazole rings is 56.58 (5)°. In the crystal, mol-ecules are linked via inter-molecular N-H⋯N and C-H⋯O hydrogen bonds, forming a supra-molecular chain along the b axis. ...[more]

PMID: 21522657

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