Crystal structure and characterization of [2,5-(CH3O)2C6H3NH3]4P4O12·2H2O

The preparation, crystal structure, TG-DTA analysis and spectroscopy investigation are reported for the 2,5-dimethoxy phenyl ammonium cyclotetraphosphate dihydrate [2,5-(CH3O)2C6H3NH3]4P4O12·2H2O. This new compound is triclinic P1¯ with unit cell dimensions: a = 7.438(5) Å, b = 11.841(7) Å, c = 12.354(4) Å, α = 96.61(4)°, β = 98.35(4)°, γ = 102.60(6)°, Z = 1 and V = 1038.0(1) Å3. Its crystal structure has been determined and refined to R = 0.049, with 5128 independant reflections. The structure can be described by rows of P4O12 ring anions along the a axis; between these rows are located the organic groups, connected to them by hydrogen bonds.