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[6.2.1.13,6.02,7]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.


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[ doi:10.1107/S1600536812051902/hb7005sup0.html ]
Supplementary materials


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[ doi:10.1107/S1600536812051902/hb7005Isup3.mol ]
Supplementary material


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[ doi:10.1107/S1600536812051902/hb7005Isup4.cml ]
Supplementary material


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