Co-crystals of 3-deoxy-3-fluoro-α-D-glucopyranose and 3-deoxy-3-fluoro-β-D-glucopyranose.

ABSTRACT: 3-Deoxy-3-fluoro-D-glucopyranose crystallizes from acetone to give a unit cell containing two crystallographically independent molecules. One of these molecules (at site A) is structurally homogeneous and corresponds to 3-deoxy-3-fluoro-β-D-glucopyranose, C(6)H(11)FO(5), (I). The second molecule (at site B) is structurally heterogeneous and corresponds to a mixture of (I) and 3-deoxy-3-fluoro-α-D-glucopyranose, (II); treatment of the diffraction data using partial-occupancy oxygen at the anomeric center gave a high-quality packing model with an occupancy ratio of 0.84:0.16 for (II):(I) at site B. The mixture of α- and β-anomers at site B appears to be accommodated in the lattice because hydrogen-bonding partners are present to hydrogen bond to the anomeric OH group in either an axial or eq

SUBMITTER: Zhang W 

PROVIDER: S-EPMC3089378 | biostudies-literature | 2010 Nov

REPOSITORIES: biostudies-literature