Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 12 (December 2012)

organic compounds

 

Tris(5-amino-1H-1,2,4-triazol-4-ium) dihydrogenphosphate hydrogenphosphate trihydrate

M. L. Mrad, M. Zeller, K. J. Hernandez, M. Rzaigui and C. Ben Nasr

Abstract: In the crystal structure of the title molecular salt, 3C₂H₅N₄⁺·HPO₄^2-·H₂PO₄^-·3H₂O, the phosphate-based framework is built upon layers parallel to (010) made up from the H₂PO₄^- and HPO₄^2- anions and water molecules, which are interconnected through O-HO hydrogen bonds. The organic cations are located between the phosphate-water layers and are connected to them via N-HO hydrogen bonds. The bond-length features are consistent with an imino resonance form for the exocyclic amino group, as is commonly found for a C-N single bond involving sp²-hybridized C and N atoms.

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