An investigation of the inclusion complex of β-cyclodextrin with p-nitrobenzoic acid in the solid state

The weak inclusion complex of cyclomaltoheptaose (β-cyclodextrin, βCD) with p-nitrobenzoic acid was investigated in the solid state. Crystallography shows that two βCD molecules co-crystallize with two p-nitrobenzoic acids and 28.5 water molecules [2(C42H70O35)·2(C7H5NO4)·28.5H2O] in the triclinic system.

The inclusion behavior of βCD with p-NBA shows that two βCD molecules are linked by means of hydrogen-bonds producing a barrel-like structure inside of which a pair of guest molecules is accommodated. The intervening water molecules play an important role in determining the guest position and orientation.Figure optionsDownload as PowerPoint slide