Methyl 4‐O‐β‐l‐fucopyranosyl α‐d‐glucopyranoside hemihydrate |
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Authors: | Lars Eriksson Roland Stenutz Gran Widmalm |
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Institution: | Lars Eriksson,Roland Stenutz,Göran Widmalm |
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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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