The structure of the complex of cyclomaltoheptaose (beta-CD) with nona
noic acid, beta-cyclodextrin-nonanoic acid (1/1) water solvate, 2C(42)
H(70)0(35).1.6C(9)H(18)O(2).23.9H(2)O, has been determined at room tem
perature. Two independent molecules of beta-CD form a dimer which encl
oses two molecules of nonanoic acid. The guest molecules penetrate the
beta-CD cavities to different depths. Their carboxylic groups point t
owards the primary hydroxyl region of beta-CDs forming direct dimers t
hrough hydrogen bonds with the carboxylic groups of adjacent guests al
ong the a axis and interact with water molecules and disordered primar
y hydroxyl O atoms.