Crystal structure of β-d-psicopyranose

Here, we report the crystal structure of d-psicose, C6H12O6, one of the rare sugars. The compound crystallizes as the β-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 P212121, Z = 4, with cell dimensions a = 7.727(2), b = 8.672(2), c = 11.123(3) Å, V = 745.3(3) Å3. The pyranosyl ring adopts chair 2C5 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.