Crystal structure of a new organic hydrogenmonophosphate adduct [2-NH2-6-CH3-C4H3N2O]2HPO4

The synthesis and structure of a new adduct with the [2-NH2-6-CH3- C4H3N2O]2HPO4 formula is described. This compound crystallizes in the triclinic space group P 1 ¯ . The unit cell parameters are: a = 7.679(1) Å, b = 9.883(2) Å, c = 10.217(3) Å, α = 83.36(2)°, β = 79.48(5)°, γ = 80.34(4)°, V = 748.7(1) Å3, and Z = 2. The crystal structure was solved and refined to R = 0.037, using 2241 independent reflections. The atomic arrangement of this compound is built up by (H4P2O8)2− dimers. Each dimer aggregates with organic molecules to form an open framework architecture like through hydrogen bond interactions. Solid-state 13C and 31P MAS NMR spectroscopies are in agreement with the X-ray structure.