Synthesis and Characterization of a New Noncentrosymmetric Dihydrogenmonophosphate [C12H13N2O]H2PO4

The organic–inorganic hybrid material [C12H13N2O]H2PO4 has been synthesized at room temperature by slow evaporation. The compound crystallizes in the noncentrosymmetric orthorhombic space group P212121 with the lattice parameters a = 4.75 (5) Å, b = 10.26 (5) Å, c = 27.09 (3) Å, Z = 4 and V = 1323.3 (2) Å3. The crystal structure has been determined and refined to R1 = 0.047 and wR2 = 0.120 using 2870 independent reflections. The atomic arrangement can be described by infinite anionic chains running parallel to the a axis. The organic cations are linked to the inorganic chains by hydrogen bonds so as to build a two-dimensional network. The infrared spectroscopy confirms the presence of the organic group and the anionic entities. Concerning the differential scanning calorimetry, it revealed one phase transition at 71 °C. Thermal analysis was performed to study its thermal stability. Besides, the impedance spectroscopy study, reported in the sample, reveals that the conduction in the material is due to a Grotthus mechanism.