A synchrotron X-ray powder diffraction study of 4-(2,3,4-trifluorophenyl)-1,2,3,5-dithiadiazolyl. Crystal structure determination using a global optimisation method

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BELL, Anthony M. T., SMITH, J. Nicholas B., ATTFIELD, J. Paul, RAWSON, Jeremy M., SHANKLAND, Kenneth and DAVID, William I. F. (1999). A synchrotron X-ray powder diffraction study of 4-(2,3,4-trifluorophenyl)-1,2,3,5-dithiadiazolyl. Crystal structure determination using a global optimisation method. New Journal of Chemistry, 23, 565-567. [Article]

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Abstract

The crystal structure of the title compound, C6H2F3CNSSN, containing two independent molecules in the asymmetric unit, was determined from synchrotron powder X-ray diffraction data using a global optimisation model building method and confirmed using rigid-body Rietveld refinement; the asymmetric unit contains two independent molecules linked through intermolecular S-S contacts at 3.25 and 3.30 angstroms .

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Official URL:

http://pubs.rsc.org/en/journals/journalissues/nj#!...

Page Range:

565-567

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Identification Number:

10.1039/A902534K

ORCID for Anthony M. T. Bell: