STRUCTURE OF THE P-SULFONATOCALIX[4]ARENE COMPLEX WITH TETRAMETHYLAMMONIUM IONS, (4)](5)[P-SULFONATOCALIX[4]ARENE]CENTER-DOT-4H(2)O

Treatment of p-calix[4]arene sulfonic acid with excess tetramethylammo nium hydroxide yields [NMe(4)](5)[p-sulfonato-calixarene]. 4H(2)O. The compound crystallizes from aqueous solution in the triclinic space gr oup P1 with a = 13.125(3), b = 14.881(3), c = 16.320(4) Angstrom, alph a = 77.19(1), beta = 77.30(1), gamma = 72.30(1)degrees, and D-c = 1.35 g cm(-3) for Z = 2 (C48H87O20N5S4). Refinement based on 5044 observed reflections yielded a final R value of 0.084. The overall structure c onsists of bilayers of calix[4]arenes separated by regions which conta in the cations and water molecules. One of the tetramethylammonium ion s is bound within the hydrophobic calix[4]arene cavity.