X-ray crystal structure of a p-hydroxycalix[6]arene derivative

Abstract The first molecular structure of a p-hydroxycalix [6]arene 6 has been determined by a single crystal X-ray diffraction study. The calix[6]arene molecule assumes a 1,2,3-alternate conformation with all OH groups at the upper rim engaged in H-bonds with pyridine molecules. The stacking of molecules of p-hydroxycalix[6]arene 6 along the a and c axes gives rise to a solvent pseudo-cylindrical cavity at the centre of the cell.