The structure of the first supramolecular α-cyclodextrin complex with an aliphatic monofunctional carboxylic acid

Abstract

The crystal structure of the supramolecular complex between α-cyclodextrin and decanoic acid was determined: The aliphatic chain of the carboxylic acid is threaded through a head-to-head dimer of two cyclodextrin residues, resulting in a 1:2 stoichiometry. Head-to-head orientation is also observed between neighboring complexes. The overall degree of hydration with 25 water molecules per supramolecular complex is remarkably high