Synthesis, Structure, and Physicochemical Studies of Hexakis(2,4-dimethylanilinium) Cyclohexaphosphate Hexahydrate

Chemical preparation, crystal structure, thermal analysis, IR absorption, and NMR studies are given for a new organic cyclohexaphosphate, the hexakis(2,4‐dimethylanilinium) cyclohexaphosphate hexahydrate ((2,4‐Me2C6H3NH3)6P6O18⋅6 H2O). This compound crystallizes in the monoclinic space group P21/n, with cell parameters a=10.914(4) Å, b=11.198(3) Å, c=25.670(2) Å, β=95.05(4)°, Z=2, and V=3124(2) Å3. Its crystal structure is determined and refined to a final R=0.054 for 4627 independent reflections. The atomic arrangement can be described as a layer organization built by P6O18‐ring anions and H2O molecules. Between these layers are located the organic groups that form H‐bonds with O‐atoms of the P6O18 rings and H2O molecules. Determination of the geometric characteristics of the H‐bonds show the existence in this structure of four particularly strong H‐bonding contacts (1.75, 1.76, 1.78, and 1.87 Å).