Crystal And Molecular Structure Of Bis(2,4-Diaminopyrimidinium) Phosphate Monohydrate, 2c(4)H(7)N(4)(+).Po43-.H2o+

The crystal and molecular structure of bis(2,4-diaminopyrimidinium) phosphate monohydrate, 2C(4)H(7)N(4) (+).PO43-.H3O+ has been determined by X-ray crystallographic method. The crystal belongs to the monoclinic space group P2(1)/a with cell dimensions a = 20.992(2), b = 6.948(1), c = 10.083(1) Angstrom and beta = 102.15 (1)degrees. The asymmetric unit of the structure consists of one phosphate ion, one water molecule and two 2,4-diaminopyrimidine (DAP) molecules stacked parallel to the b direction with average perpendicular separations of 3.311(4) and 3.344(4) Angstrom, respectively. The tilt angle between the least squares planes of the two DAP molecules in the asymmetric unit is 2.0(1)degrees. The structure is stabilized by stacking forces, N-H...N and N-H...O hydrogen bonds.