J. Appl. Cryst. (2008). 41, 1089-1094 [ doi:10.1107/S0021889808030872 ]
Abstract: Differential thermal expansion over the range 90-210 K has been applied successfully to determine the crystal structure of chlorothiazide from synchrotron powder diffraction data using direct methods. Key to the success of the approach is the use of a multi-data-set Pawley refinement to extract a set of reflection intensities that is more `single-crystal-like' than those extracted from a single data set. The improvement in reflection intensity estimates is quantified by comparison with reference single-crystal intensities.
Keywords: differential thermal expansion; powder diffraction; direct methods; Pawley refinement.
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