Research Article: Bicyclo­[2.2.1]hept-2-en-7-yl 4-bromo­benzoate

Date Published: July 01, 2012

Publisher: International Union of Crystallography

Author(s): Barry A. Lloyd, Atta M. Arif.


The structure of the title compound, C14H13BrO2, which contains a norbornenyl group and a 4-bromo­benzoate ester at the single C-atom bridge, has been redetermined [see McDonald & Trotter (1965 ▶). Acta Cryst.19, 456–463] to modern standards to establish high-precision geometrical data to compare with norbornyl and other tetra­cyclic 4-bromo­benzoates. Possible structural evidence is sought to help explain solvolytic reactivities.

Partial Text

For the previous structure determination of the title compound, see: McDonald & Trotter (1965 ▶). For a discussion, see: Coots (1983 ▶); Lloyd et al. (1995 ▶). For an analogous p-nitro­benzoate structure, see: Jones et al. (1992 ▶). For related tetra­cyclic 4-bromo­benzoate structures, see: Lloyd et al. (2000 ▶) and references therein. For a theoretical discussion, solvolysis rates and mol­ecular orbital calculations, see: Chow (1998 ▶). For further synthetic details, see: Coots (1983 ▶); Lloyd et al. (1993 ▶).




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