William J. Brittain*, David Schilter, Viola Fieglein and Serhii Vasylevskyi,
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引用次数: 0
Abstract
Attractive arene–perfluoroarene interactions are observed in the single-crystal structure of E-1-pentafluorophenyl-2-phenyldiazene (E-F5AB). Consistent with the Wheeler model of arene–perfluoroarene interactions, aromatic stacking has a parallel-displaced geometry. Density functional theory calculations indicate that 85% of the attractive intermolecular energy is from dispersion and only 13% is from electrostatic energy. Structural data on the weak C(sp2)-H---F-C(sp2) attractive force is compared to literature values on similar systems. We also compared the structural parameters for four azobenzenes, where melting points and single-crystal structures for both azobenzene geometric isomers are available. There is a qualitative correlation between melting point versus packing efficiency and crystal density.
期刊介绍：
The aim of Crystal Growth & Design is to stimulate crossfertilization of knowledge among scientists and engineers working in the fields of crystal growth, crystal engineering, and the industrial application of crystalline materials.
Crystal Growth & Design publishes theoretical and experimental studies of the physical, chemical, and biological phenomena and processes related to the design, growth, and application of crystalline materials. Synergistic approaches originating from different disciplines and technologies and integrating the fields of crystal growth, crystal engineering, intermolecular interactions, and industrial application are encouraged.
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