Crystal structure of beta-D-psicopyranose

Carbohydr Res. 2008 Sep 8;343(13):2336-9. doi: 10.1016/j.carres.2008.05.012. Epub 2008 May 21.


Here, we report the crystal structure of D-psicose, C(6)H(12)O(6), one of the rare sugars. The compound crystallizes as the beta-anomer with rarely observed in pyranose carbohydrate structures trans-gauche orientation of the hydroxymethyl group relative to the pyranosyl ring. The crystal system is orthorhombic, space group P2(1)2(1)2(1), Z=4, with cell dimensions a=7.727(2), b=8.672(2), c=11.123(3)A, V=745.3(3)A(3). The pyranosyl ring adopts chair (2)C(5) conformation. The crystal structure at 100(2)K is stabilized by three-dimensional network of O-H...O and C-H...O intermolecular hydrogen bonds.

MeSH terms

  • Carbohydrate Conformation
  • Crystallography, X-Ray / methods
  • Fructose / chemistry*
  • Hydrogen Bonding
  • Models, Chemical
  • Models, Molecular
  • Models, Statistical
  • Molecular Conformation
  • Molecular Structure
  • Pyrans / chemistry
  • Temperature
  • X-Ray Diffraction


  • Pyrans
  • psicose
  • Fructose