Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 7 (July 2013)

organic compounds

Acta Cryst. (2013). E69, o1086    [ doi:10.1107/S1600536813015699 ]

Carbamo­yl(di­amino­methyl­idene)aza­nium 3-nitro-5-oxo-4,5-di­hydro-1H-1,2,4-triazol-4-ide

X.-P. Huang, B.-Z. Wang, D.-P. Li and S. W. Ng

Abstract: In the anion of the title salt, C2H7N4O+·C2HN4O3-, the negative charge resides formally on the N3 atom of the triazole ring. In the crystal, the N3 and exocyclic O atoms are hydrogen-bond acceptors with respect to the formally double-bond iminium and amido N atoms of the cation. The cation and anion are almost planar (r.m.s. deviations = 0.012 and 0.051 Å, respectively), but they are slightly bent with respect to each other [dihedral angle = 12.6 (1)°]. In the crystal, adjacent anions and cations are linked by extensive N-H...N and N-H...O hydrogen bonds, generating a ribbon running along the b-axis direction.

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