title: Crystal structure of lactitol (4-O-beta-D-galactopyranosyl-D-glucitol) dihydrate.
abstract: Lactitol dihydrate, C12H24O11.2H2O, is tetragonal, space group P4(3)2(1)2 with cell dimensions a and b = 8.7612(1), c = 45.500(3) A, and V = 3493.2(3) A3, Z = 8, Dx = 1.45 Mg.m-3, lambda (Cu-K alpha) = 1.54056 A, mu = 1.108 mm-1, F(000) = 1632, and T = 23 degrees. The structure was solved by direct methods and refined by least-squares calculations to R = 0.054 for 2037 unique observed reflections. There are three intra- and twelve inter-molecular hydrogen bonds in the structure. Bond lengths and angles accord quite well with the mean values of related structures. The galactopyranosyl ring has a chair conformation.
authors.affiliation: Department of Chemistry, University of Jyväskylä, Finland.
authors.forename: J
authors.initials: J
authors.lastname: Kivikoski
authors.forename: J
authors.initials: J
authors.lastname: Valkonen
authors.forename: J
authors.initials: J
authors.lastname: Nurmi
mesh_terms: D002236:Carbohydrate Conformation; D002240:Carbohydrate Sequence; D006860:Hydrogen Bonding; D008958:Models, Molecular; D008969:Molecular Sequence Data; D012984:Software; D013402:Sugar Alcohols / Q000737:chemistry*; D014961:X-Ray Diffraction
chemical_list: D013402:Sugar Alcohols; C014635:lactitol