REFINEMENT OF HEXAMETHYLENETETRAMINE BASED ON DIFFRACTOMETER AND IMAGING-PLATE DATA

Two data sets were collected on single crystals of hexamethylenetetram ine (urotropin) using a four-circle diffractometer with Cu K alpha rad iation and an imaging-plate two-dimensional detector with Mo K alpha s ource using the rotation method. Both data sets extend to the same lim it of sin theta/lambda = 0.62 Angstrom(-1), corresponding to a resolut ion of 0.81 Angstrom A. Different processing protocols were employed f or the two sets of data. Structure refinements carried out separately with each data set led to equivalent results of comparable accuracy. T he imaging-plate scanner was able to provide X-ray data of high qualit y in a significantly shorter time than the diffractometer.