Acta Crystallographica Section E

Structure Reports Online

Volume 69, Part 2 (February 2013)

organic compounds

hb7005 scheme

Acta Cryst. (2013). E69, o202-o203 [ doi:10.1107/S1600536812051902 ]

endo,endo-Tetracyclo[6.2.1.1^3,6.0^2,7]dodeca-9-en-anti-11-yl 4-bromobenzoate

B. A. Lloyd, A. M. Arif and R. J. Coots

Abstract: The title compound 1-OPBB, C₁₉H₁₉BrO₂, contains a dechlorinated and hydrogenated isodrin backbone with an anti-4-bromobenzoate substituent at one of the methano bridges. The dihedral angle between the CO₂ ester plane and the benzene ring plane is 8.5 (2)°. In the crystal, the ester groups stack over benzene rings: the molecules pack as conformational enantiomers, with nearest parallel benzene ring planes separated by a perpendicular distance of 3.339 (1) Å. The nearest benzene-ring centroids are 5.266 (1) Å apart. Possible structural correlation with enhanced solvolytic reactivity is investigated.


	Hyper-Text Markup Language (HTML) file [ doi:10.1107/S1600536812051902/hb7005sup0.html ] Supplementary materials

	MDL mol file (1.9 kbytes) [ doi:10.1107/S1600536812051902/hb7005Isup3.mol ] Supplementary material

	Chemical Markup Language (CML) file (6.1 kbytes) [ doi:10.1107/S1600536812051902/hb7005Isup4.cml ] Supplementary material

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