Structure of supramolecular assemblies formed by alpha,delta-tetramethylcucurbit[6]uril and 4-nitrophenol.

A host-guest assembly, [(C(40)H(44)N(24)O(12)).(C(6)H(5)NO(3))(8).13(H(2)O)] (1), based on a partial substituted cucurbituril, alpha,delta-tetramethylcucurbit[6]uril (TMeQ[6]), and 4-nitrophenol was synthesized and structurally characterized by single-crystal X-ray diffraction. A combination of hydrogen-bonding between the latticed water molecule and the hydroxyl group of 4-nitrophenol, the hydroxyl group of 4-nitrophenol and the carbonyl groups lining the portals in additon, the C-H...pi interactions between the 4-nitrophenol molecules could be the driving forces of formation such an exclusion host-guest assembly.