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852558 
Journal Article 
Crystal Structure of the 1:1 Complex Between Mesitylene and Fluoranil. Analysis of Stacking Interactions in Complexes Containing Fluoranil 
Dahl, T; Rissanen, K; Valkonen, J; Skov, LK; Søtofte, I; Ranta, K; Rojo, T 
1998 
Yes 
Acta Chemica Scandinavica
ISSN: 0904-213X
EISSN: 1902-3103 
52 
8 
1006-1009 
WOS:000075060000006 
The title compound crystallizes in the monoclinic space group P2(1)/m with cell dimensions a = 6.849(2), b = 13.452(2), c = 8.072(2) Angstrom, beta = 103.95(2)degrees. All data were collected from a twinned crystal, and the structure was refined to R = 0.074. 306 observed reflections were included in the refinement. The partner molecules are stacked alternately with an interplanar distance of 3.421(4) Angstrom. The observed bond distances and angles in fluoranil indicate some orientational disorder of this molecule.



This and six other complexes containing fluoranil have been included in a molecular-packing analysis, based on atom-to-atom potential lattice-energy calculations. The analysis shows that charge-transfer interactions have effects on the interplanar distances in all the complexes. These effects are to some extent correlated with the ionization potentials of the donor molecules. The results indicate that the interactions are of a different kind in the complex with N,N-dimethylaniline than in the other complexes.