REFINEMENT OF HEXAMETHYLENETETRAMINE BASED ON DIFFRACTOMETER AND IMAGING-PLATE DATA

Two data sets were collected on single crystals of hexamethylenetetramine (urotropin) using a four-circle diffractometer with Cu K alpha radiation and an imaging-plate two-dimensional detector with Mo K alpha source using the rotation method. Both data sets extend to the same limit of sin theta/lambda = 0.62 Angstrom(-1), corresponding to a resolution of 0.81 Angstrom A. Different processing protocols were employed for the two sets of data. Structure refinements carried out separately with each data set led to equivalent results of comparable accuracy. The imaging-plate scanner was able to provide X-ray data of high quality in a significantly shorter time than the diffractometer.