Crystal structure of a novel supramolecular calix[4]arene derivative with 1D structure

A new calix[4]arene derivative, 5,11,17,23-tetra-tert-butyl-25,27-dihydroxy -26,28-bis[2(methoxycarbonyl) benzyloxy]calix[4]arene was synthesized. The X-ray crystal structure of the title compound has been determined. It cryst allizes in the monoclinic with space group C2/c, a = 1.262 8(3) nm, b = 2.5 35 0(5) nm, c = 2.095 7(4) nm, beta = 103.36(3)degrees, V = 6.528(2) nm(3), Z = 4, D-c = 1.203 g/cm(3), F(000) = 2 488, R = 0.114 3, wR(2) = 0.297 9, Delta rho (max) = 0.329 X 10(3) e/nm(3), Delta rho (min) = -0. 256 X 10(3) e/nm(3) The crystal structure of the title compound shows that in the molec ule there are hydrogen bonds between proximal hydroxyl and ether functional groups [O(H)-O: 0.300 4 nm]. The benzoic ether site in the title molecule may be considered as a pi -conjugated system, therefore, the intermolecular pi-pi interaction exists between two benzoic ether site of the adjacent mo lecules, which caused the formation of a one-dimensional saw-toothed supram olecule.