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

Abstract: 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 . 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. [Copyright &y& Elsevier]