The crystal structure of the 1:1 complex of beta-cyclodextrin with trans-cinnamic acid.
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.
Kokkinou
A
A
Physics Laboratory, Agricultural University of Athens, Greece.
Makedonopoulou
S
S
Mentzafos
D
D
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
D002934:Cinnamates; D003505:Cyclodextrins; D010937:Plant Growth Regulators; D047392:beta-Cyclodextrins; C029010:cinnamic acid; C031215:betadex