Synthesis, structure and spectroscopic characterization of a new organic cation diphosphate: [2,6-(C2H5)2C6H3NH3]2H2P2O7 • 2H2O

The chemical preparation, crystal structure and spectroscopic characterization of [2,6-(C(2)H(5))(2)C(6)H(3)NH(3)](2)H(2)P(2)O(7) center dot 2H(2)O have been reported. The compound crystallizes in the monoclinic system in space group P2(1)/c and cell parameters a = 14.323(2), b = 11.158(3), c = 16.387(2) angstrom and beta = 96.34(3)degrees; V = 2602.8(9) angstrom(3) and Z = 4. Crystal structure has been determined and refined to R = 0.044, using 3528 independent reflections. The atomic arrangement of the title compound shows anionic layer of formulae [H(2)P(2)O(7)(H(2)O)(2)] (2n-)(n) stacked along the c-axis. The 2,6-diethylanilinium cations establish on both sides of these inorganic layer hydrogen bonds so as to contribute to the intralayer cohesion in the network. The different building species are held together by means of O-H center dot center dot center dot O and N-H center dot center dot center dot O intermolecular hydrogen bonds in addition to electrostatic and van der Waals interactions.