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

In the anion of the title salt, C(2)H(7)N(4)O(+)·C(2)HN(4)O(3) (−), the negative charge resides formally on the N(3) atom of the triazole ring. In the crystal, the N(3) and exocyclic O atoms are hydrogen-bond acceptors with respect to the formally double-bond iminium and amido N atoms of the cation....

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Detalles Bibliográficos
Autores principales: Huang, Xin-Ping, Wang, Bo-Zhou, Li, Dong-Ping, Ng, Seik Weng
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3770364/
https://www.ncbi.nlm.nih.gov/pubmed/24046649
http://dx.doi.org/10.1107/S1600536813015699
Descripción
Sumario:In the anion of the title salt, C(2)H(7)N(4)O(+)·C(2)HN(4)O(3) (−), the negative charge resides formally on the N(3) atom of the triazole ring. In the crystal, the N(3) 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.