title: The crystal and molecular structure of beta-D-fructofuranosyl alpha-D-xylopyranoside hemihydrate.
abstract: The crystal and molecular structure of beta-D-fructofuranosyl alpha-D-xylopyranoside (xylosucrose) hemihydrate, C11H20O10.0.5H2O, is orthorhombic, P2(1)2(1)2, with a = 20.919(5), b = 18.727(2), c = 7.071(1) A, V = 2770.1(2) A3, Z = 8, and Dx = 1.541 g.cm-3. The structure was solved by direct methods and refined to R = 0.040 for 2564 observed reflections. Two independent xylosucrose molecules exist in the unit cell, and their conformations about the 1-->2' glycosidic bond are similar to sucrose. The orientations of the primary hydroxyl groups in the two molecules differ. An O-1'...O-2 intramolecular hydrogen bond was observed in the one molecule, while an O-6'...O-5 intramolecular hydrogen bond was observed in the other involving disorder of O-6'.
authors: Faculty of Pharmaceutical Sciences, Kyoto University, Japan.
authors: T
authors: T
authors: Taga
authors: E
authors: E
authors: Inagaki
authors: Y
authors: Y
authors: Fujimori
authors: K
authors: K
authors: Fujita
authors: K
authors: K
authors: Hara
mesh_terms: D002240:Carbohydrate Sequence; D006860:Hydrogen Bonding; D008958:Models, Molecular; D008969:Molecular Sequence Data; D013395:Sucrose / Q000031:analogs & derivatives* / Q000737:chemistry; D014961:X-Ray Diffraction
chemical_list: C080712:xylosucrose; D013395:Sucrose