Crystal structure and spectroscopic investigations of an organic monophosphate

Single crystals of (p-ClC6H4NH3)H2PO4 are synthesized in water by interaction of H3PO4 and (p-ClC6H4NH2). This compound crystallizes in the orthorhombic system with the Pbca space group. Its unit-cell parameters are a = 9.724(3), b = 7.861(1), c = 25.078(6) Å, V = 1917.1(6) Å3 and Z = 8. The crystal structure has been solved and refined to R = 0.039, using 4298 independent reflections. The atomic arrangement can be described by inorganic layers parallel to ab plane, between which the organic cations are located. This compound exhibits a reversible phase transition at 403 K. The electrical conductivity measurements show that the (p-ClC6H4NH3)H2PO4 has a conductivity value which goes from σ = 0.88 × 10−6 Ω−1 cm−1 at room temperature (293 K) to 3.31 × 10−4 Ω−1 cm−1 at 433 K. Its characterisation by TA, NMR and IR is reported too.