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Charge densities from high-resolution synchrotron X-ray diffraction experiments

Mallinson, PR and Barr, G and Coles, SJ and Row, TNG and MacNicol, DD and Teat, SJ and Wozniak, K (2000) Charge densities from high-resolution synchrotron X-ray diffraction experiments. In: JOURNAL OF SYNCHROTRON RADIATION, 07 . pp. 160-166.

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Official URL: http://journals.iucr.org/s/issues/2000/03/00/hi008...

Abstract

The combination of intense X-ray sources, especially synchrotron radiation, with area-detector technology has accomplished an enormous advance in the experimental conditions available for charge-density analysis by single-crystal high-resolution X-ray diffraction. Such experiments can now be carried out in a time measured in hours rather than weeks. Some features of these experiments are examined and preliminary results are reported for charge-density studies of 2-hydroxy-5-nitrobenzaldehyde N-cyclohexylimine (1), octakis(m-tolylthio)naphthalene (2), and 7-fluoro-4-styrylcoumarin (3). Weak interactions in crystals of (1) and (3) are found to have similar charge-density characteristics. Cages in the crystal lattice of (2) have a complex charge distribution.

Item Type: Journal Article
Additional Information: Copyright of this article belongs to International Union of Crystallography.
Keywords: high-resolution X-ray diffraction;charge density;weak interactions;area detectors;single crystals.
Department/Centre: Division of Chemical Sciences > Solid State & Structural Chemistry Unit
Division of Chemical Sciences > Organic Chemistry
Date Deposited: 05 Mar 2009 05:50
Last Modified: 05 Mar 2009 05:50
URI: http://eprints.iisc.ernet.in/id/eprint/16646

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