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Crystal structure of glycolaldehyde solved from powder diffraction data

The title compound has been obtained from commercial supplier (Fluka). It has been known that glycolaldehyde can crystallize in two crystal phases alpha and beta, the evidence of which was given by vibrational spectroscopy (Kobayashi et al. 1976). However, no conformation of two hydroxyl groups attached to dioxane ring was given for each crystal phase. The powder pattern was collected on laboratory diffractometer with reflection geometry, but showed extreme preferred orientation, so that capillary transmission was only choice. Sample was filled into a 0.5 mm capillary and pattern was collected on the X'Pert PRO diffractometer with focusing mirror and X'Celerator detector. The pattern was successfully indexed with high figure of merit. The unit cell was monoclinic a= 5.621(2) A, b= 8.402(2) A, c= 5.948(2) A, beta= 114.92 (2) deg. Space group search by Pawley methjod suggested space group P21/a. Structure was successfully solved by direct methods program suite EXPO.

glycolaldehyde; powder diffraction; crystal structure; Raman spectroscopy

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