title: The crystal structure of the 1:1 complex of beta-cyclodextrin with trans-cinnamic acid.
abstract: The crystal structure of the 1:1 complex of beta-cyclodextrin (cyclomaltoheptaose) with trans-cinnamic acid was studied by X-ray diffraction. Two beta-cyclodextrin molecules related by a twofold crystal axis form dimers in the hydrophobic cavity of which, two guest molecules are entirely buried. The complex crystallizes in the monoclinic C2 space group with channel-type molecular packing. The oxygen atoms of the carboxylate group of the trans-cinnamic acid molecule form strong hydrogen bonds with two water molecules lying in the interdimeric space of the hydrophobic channel.
authors.affiliation: Physics Laboratory, Agricultural University of Athens, Greece.
authors.forename: A
authors.initials: A
authors.lastname: Kokkinou
authors.forename: S
authors.initials: S
authors.lastname: Makedonopoulou
authors.forename: D
authors.initials: D
authors.lastname: Mentzafos
mesh_terms: D002934:Cinnamates / Q000737:chemistry*; D018360:Crystallography, X-Ray; D003505:Cyclodextrins / Q000737:chemistry*; D019281:Dimerization; D006860:Hydrogen Bonding; D008958:Models, Molecular; D008968:Molecular Conformation; D015394:Molecular Structure; D010937:Plant Growth Regulators / Q000737:chemistry; D018517:Plant Roots / Q000254:growth & development; D047392:beta-Cyclodextrins
chemical_list: D002934:Cinnamates; D003505:Cyclodextrins; D010937:Plant Growth Regulators; D047392:beta-Cyclodextrins; C029010:cinnamic acid; C031215:betadex