6533b86cfe1ef96bd12c8304

RESEARCH PRODUCT

Crystal structure of lactitol (4-O-beta-D-galactopyranosyl-D-glucitol) dihydrate.

Jussi ValkonenJuha NurmiJussi Kivikoski

subject

Models MolecularChemistryStereochemistryHydrogen bondOrganic ChemistryMolecular Sequence DataHydrogen BondingGeneral MedicineCrystal structureBiochemistryAnalytical ChemistryBond lengthTetragonal crystal systemCrystallographyMolecular geometrySugar AlcoholsCarbohydrate SequenceX-Ray DiffractionX-ray crystallographyCarbohydrate ConformationMoleculeHydrateSoftware

description

Abstract Lactitol dihydrate, C 12 H 24 O 11 ·2H 2 O, is tetragonal, space group P 4 3 2 1 2 with cell dimensions a and b = 8.762(1), c = 45.500(3) A, and V = 3493.2(3) A 3 ; Z = 8, D x = 1.45 Mg.m −3 , λ(Cu- K α ) = 1.54056 A, μ = 1.108 mm −1 , F (000) = 1632, and T = 23°. 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 of conformation.

10.1016/0008-6215(92)80005-lhttps://pubmed.ncbi.nlm.nih.gov/1596933