Synthesis and characterization of a new monophosphate (5-Cl-2,4-(OCH3)2C6H2NH3)H2PO4

Chemical preparation, crystal structure and NMR spectroscopy of a new organic cation 5-chloro(2,4-dimethoxy)anilinium monophosphate H2PO4 are given. This new compound crystallizes in the monoclinic system, with the space group P21/c and the following parameters: a = 5.524(2) Å, b = 9.303(2) Å, c = 23.388(2) Å, β = 90.66(4), V = 1201.8(2) Å3, Z = 4 and Dx = 1.573 g cm−3. Crystal structure has been determined and refined to R = 0.031 and Rw = 0.080 using 1702 independent reflections. Structure can be described as an infinite (H2PO4)nn− corrugated chains in the a-direction. The organic groups (5-Cl-2,4-(OCH3)2C6H2NH3)+ are anchored between adjacent polyanions through multiple hydrogen bonds. This compound is also investigated by IR, thermal, and solid-state, 13C, 31P MAS NMR spectroscopies.