Charge densities from high-resolution synchrotron X-ray diffraction experiments.
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.
Mallinson
P R
PR
Chemistry Department, University of Glasgow, Glasgow G12 8QQ, UK. paul@chem.gla.ac.uk
Barr
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G
Coles
S J
SJ
Guru Row
T N
TN
MacNicol
D D
DD
Teat
S J
SJ
Woźniak
K
K