Collect. Czech. Chem. Commun. 1991, 56, 2169-2174

Crystal structure of 1,6-anhydro-1(6)-thio-β-D-glucopyranose S-oxide

Jiří Novotnýa, Jaroslav Podlahab and Miloslav Černýb

a Department of Solid State Chemistry, Prague Institute of Chemical Technology, 166 28 Prague 6
b Department of Chemistry, Charles University, 128 40 Prague 2


The crystals of the title compound are orthorhombic, space group P212121, a = 6.193(1), b = 6.3734(7), c = 38.553(6)Å, Z = 8. The structure was solved by direct methods and refined to R = 0.035 for 1 460 independent reflections. It is composed of two crystallographically independent but chemically almost identical molecules. The structure is stabilized by hydrogen bonding characterized by strong participation of the sulfoxide groups. A comparison with the structure of the thio derivative demonstrates that the exo-sulfoxide oxygen influences very little the overall conformation of the bicyclic skeleton.