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The structure of α,β-trehalose (α-D-glucopyranosyl-β-D-glucopyranoside) monohydrate, C12H22O11.H2O, was determined in order to compare the molecular structures of other stereoisomers, α,α-trehalose and β,β-trehalose. Both hexopyranosyl rings have 4C1 conformations. In the glycosidic linkage the torsion angles about the α-anomeric C—O bond are close to those observed in α,α-trehalose, but the torsion angles about the β-anomeric C—O bond deviate from those in β,β-trehalose and other β-pyranosides. This conformation is stabilized by an intramolecular hydrogen bond between the O(6) hydroxyl groups of the two glucopyranosyl residues. The hydrogen-bond system in the crystal structure consists of infinite and finite chains cross-linked by the water molecule.

Supporting information

cif

Crystallographic Information File (CIF)
Contains datablocks default, NEOTREHA

hkl

Structure factor file (CIF format)
Contains datablock {vcif ERROR: unable to open file /journals/www/c/issues/1997/02/00/kh1115/kh1115sup2.hkl - exiting}

CCDC reference: 128449

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