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The structure of the complex of cyclomaltoheptaose ([beta]-CD) with nonanoic acid, [beta]-cyclodextrin-nonanoic acid (1/1) water solvate, 2C42H70O35.1.6C9H18O2.23.9H2O, has been determined at room temperature. Two independent molecules of [beta]-CD form a dimer which encloses two molecules of nonanoic acid. The guest molecules penetrate the [beta]-CD cavities to different depths. Their carboxylic groups point towards the primary hydroxyl region of [beta]-CDs forming direct dimers through hydrogen bonds with the carboxylic groups of adjacent guests along the a axis and interact with water molecules and disordered primary hydroxyl oxygen atoms.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablock cdnon

hkl

Structure factor file (CIF format)
Contains datablock cdnon

CCDC reference: 127252

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