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) ų. 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).