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Diffuse X-ray scattering and disorder in p-methyl-N-(p-chlorobenzylidene)aniline, C14H12ClN (ClMe): analysis via automatic refinement of a Monte Carlo model

Welberry, Thomas


A recently developed method for fitting a Monte Carlo computer simulation model to observed single-crystal diffuse X-ray scattering has been applied to (hOl) scattering data obtained for the disordered compound p-methyl-N-(p-chlorobenzylidene)aniline, C14H12ClN (ClMe), at 295 K. Each molecular site is occupied by a molecule in one of four basically different orientations defined by combinations of a side-to-side and an end-to-end flip. These different orientations were represented in the model...[Show more]

CollectionsANU Research Publications
Date published: 2000
Type: Journal article
Source: Acta Crystallographica Section A: Foundations of Crystallography
DOI: 10.1107/S0108767300003433


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