title: The crystal structure of the inclusion complex of cyclo-maltoheptaose (beta-cyclodextrin) with 3,3-dimethylbutylamine.
abstract: The crystal of the 1:1 complex of 3,3-dimethylbutylamine with cyclomaltoheptaose (beta CD, beta-cyclodextrin) is monoclinic C2 with a = 19.187(9), b = 24.56(1), c = 15.893(7) A, beta = 108.77(4) degrees, V = 7091 A3, and Z = 4. Two beta CD molecules, held together by intermolecular hydrogen bonds involving HO-3, form dimers, in the cavities of which two 3,3-dimethylbutylamine and two water molecules are accommodated. The guest molecule is completely enclosed in the cavity. The amino group is located at the secondary-hydroxyl-group side, and is hydrogen-bonded to the entrapped water molecules. The dimers form channels along the c axis. The inter-dimer space is filled with 10.7 water molecules that are distributed over 14 sites, and there is a dense network of hydrogen bonds involving the water molecules and the beta CD hydroxyl groups.
authors.affiliation: Institute of Physical Chemistry, NRCPS Demokritos, Athens, Greece.
authors.forename: I M
authors.initials: IM
authors.lastname: Mavridis
authors.forename: E
authors.initials: E
authors.lastname: Hadjoudis
authors.forename: G
authors.initials: G
authors.lastname: Tsoucaris
mesh_terms: D002082:Butylamines / Q000737:chemistry*; D002240:Carbohydrate Sequence; D003461:Crystallography; D003505:Cyclodextrins / Q000737:chemistry*; D004123:Dimethylamines / Q000737:chemistry*; D008968:Molecular Conformation; D008969:Molecular Sequence Data; D047392:beta-Cyclodextrins
chemical_list: D002082:Butylamines; D003505:Cyclodextrins; D004123:Dimethylamines; D047392:beta-Cyclodextrins; C031215:betadex