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Structural properties of methoxy derivatives of benzyl bromide, determined from powder X-ray diffraction data

Published online by Cambridge University Press:  01 March 2012

Zhigang Pan ,
Eugene Y. Cheung ,
Kenneth D. M. Harris ,
Edwin C. Constable  and
Catherine E. Housecroft
Zhigang Pan
Affiliation:
School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT, Wales, United Kingdom
Eugene Y. Cheung
Affiliation:
School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT, Wales, United Kingdom
Kenneth D. M. Harris*
Affiliation:
School of Chemistry, Cardiff University, Main Building, Park Place, Cardiff CF10 3AT, Wales, United Kingdom
Edwin C. Constable
Affiliation:
Department of Chemistry, University of Basel, Spitalstrasse 51, 4056 Basel, Switzerland
Catherine E. Housecroft
Affiliation:
Department of Chemistry, University of Basel, Spitalstrasse 51, 4056 Basel, Switzerland
*
a)Author to whom correspondence should be addressed. Electronic mail: HarrisKDM@cardiff.ac.uk
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Abstract

Structure determination of 3,5-dimethoxybenzyl bromide and 3,4,5-trimethoxybenzyl bromide has been carried out from laboratory powder X-ray diffraction data using the direct-space Genetic Algorithm technique for structure solution followed by Rietveld refinement. These two compounds are of interest for their potential use as building blocks for the synthesis of dendritic materials. Although the two molecules differ only in the presence/absence of the methoxy group at the 4-position of the aromatic ring, the structural properties of the two materials are significantly different.

Keywords

organic materialsstructure solutiongenetic algorithmdirect-space techniques

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Type
Invited Articles
Information
Powder Diffraction , Volume 20 , Issue 4 , December 2005 , pp. 345 - 352
Copyright
Copyright © Cambridge University Press 2005

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