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Methyl 4‐O‐β‐l‐fucopyranosyl α‐­d‐­glucopyranoside hemihydrate
Authors:Lars Eriksson  Roland Stenutz  Gran Widmalm
Institution:Lars Eriksson,Roland Stenutz,Göran Widmalm
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: ?H = ?6.1° and ψH = 34.3°. The global energy minimum conformation as calculated by molecular mechanics in vacuo has ?H = ?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.
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