Structure of Supramolecular Assemblies Formed by α,δ-Tetramethylcucurbit[6]uril and 4-Nitrophenol

A host-guest assembly, [(C40H44N24O12)center dot(C6H5NO3)(8)center dot(13)(H2O)] (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 center dot center dot center dot pi p interactions between the 4-nitrophenol molecules could be the driving forces of formation such an exclusion host-guest assembly.