endo,endo-Tetra­cyclo­[6.2.1.1(3,6).0(2,7)]dodeca-9-en-anti-11-yl 4-bromo­benzoate

The title compound 1-OPBB, C(19)H(19)BrO(2), contains a dechlorinated and hydrogenated isodrin backbone with an anti-4-bromo­benzoate substituent at one of the methano bridges. The dihedral angle between the CO(2) ester plane and the benzene ring plane is 8.5 (2)°. In the crystal, the ester groups s...

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Detalles Bibliográficos
Autores principales: Lloyd, Barry A., Arif, Atta M., Coots, Robert J.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Organic Papers
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3569263/
https://www.ncbi.nlm.nih.gov/pubmed/23424486
http://dx.doi.org/10.1107/S1600536812051902
Descripción
Sumario:The title compound 1-OPBB, C(19)H(19)BrO(2), contains a dechlorinated and hydrogenated isodrin backbone with an anti-4-bromo­benzoate substituent at one of the methano bridges. The dihedral angle between the CO(2) 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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