乳糖醇（4-O-β-D-吡喃半乳糖基-D-葡萄糖醇）二水合物的晶体结构。

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

作者信息

Kivikoski J, Valkonen J, Nurmi J

机构信息

Department of Chemistry, University of Jyväskylä, Finland.

出版信息

Carbohydr Res. 1992 Jan;223:53-9. doi: 10.1016/0008-6215(92)80005-l.

DOI:10.1016/0008-6215(92)80005-l

PMID:1596933

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.

摘要

乳糖醇二水合物，C12H24O11·2H2O，呈四方晶系，空间群为P4(3)2(1)2，晶胞参数a和b = 8.7612(1)，c = 45.500(3) Å，V = 3493.2(3) Å³，Z = 8，Dx = 1.45 Mg·m⁻³，λ(Cu - Kα) = 1.54056 Å，μ = 1.108 mm⁻¹，F(000) = 1632，温度T = 23℃。该结构通过直接法解析，并经最小二乘法计算精修，对于2037个独立观测反射，R = 0.054。结构中有三个分子内氢键和十二个分子间氢键。键长和键角与相关结构的平均值相当吻合。吡喃半乳糖环呈椅式构象。