期刊
CRYSTENGCOMM
卷 12, 期 7, 页码 2079-2085出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/b925082d
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资金
- DST
- Indian Institute of Science
The crystal structure of 1,2,3,5-tetrafluorobenzene, 1, has been determined and is compared with those of other polyfluoro-substituted benzenes. Compound 1 has a layered monoclinic structure in which the layers are held by bifurcated C-H center dot center dot center dot F-C interactions. Short F center dot center dot center dot F separations are also observed. The layers are stacked at van der Waals separation to give a 4 angstrom packing. This structure is adopted instead of an alternative tetragonal structure adopted by fluorobenzene and a number of related compounds such as benzonitrile, pyridine N-oxide and alloxan. Compound 1 does not take the tetragonal structure mostly because this structure would demand the formation of a C-F center dot center dot center dot pi interaction, which appears improbable for the molecule. The role of weak intermolecular interactions in the crystal packing of predominantly non-polar compounds is highlighted.
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