Methyl 4-O-β-l-fucopyranosyl α-d-glucopyranoside hemihydrate
Abstract
The crystal structure of methyl 4-O-β-l-fucopyranosyl α-d-glucopyranoside hemihydrate C13H24O10·0.5H2O is organized in sheets with antiparallel strands, where hydrophobic interaction accounts for partial stabilization. Infinite hydrogen-bonding networks are observed within each layer as well as between layers; some of these hydrogen bonds are mediated by water molecules. The conformation of the disaccharide is described by the glycosidic torsion angles: ϕH = −6.1° and ψH = 34.3°. The global energy minimum conformation as calculated by molecular mechanics in vacuo has ϕH = −58° and ψH = −20°. Thus, quite substantial changes are observed between the in vacuo structure and the crystal structure with its infinite hydrogen-bonding networks.