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(±)-trans-3-Benzoyl-bicyclo-[2.2.2]octane-2-carboxylic acid.

ABSTRACT: The title keto acid, C(16)H(18)O(3), displays significant twisting of all three ethyl-ene bridges in its bicyclo-[2.2.2]octane structure owing to steric inter-actions; the bridgehead-to-bridgehead torsion angles are 13.14?(12), 13.14?(13) and 9.37?(13)°. The compound crystallizes as centrosymmetric carboxyl dimers [O?O = 2.6513?(12)?Å and O-H?O = 178°], which have two orientations within the cell and contain no significant carboxyl disorder.

SUBMITTER: Lalancette RA 

PROVIDER: S-EPMC2960648 | biostudies-literature | 2008 Aug

REPOSITORIES: biostudies-literature

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(±)-trans-3-Benzoyl-bicyclo-[2.2.2]octane-2-carboxylic acid.

Lalancette Roger A RA   Thompson Hugh W HW   Brunskill Andrew P J AP  

Acta crystallographica. Section E, Structure reports online 20080806 Pt 9

The title keto acid, C(16)H(18)O(3), displays significant twisting of all three ethyl-ene bridges in its bicyclo-[2.2.2]octane structure owing to steric inter-actions; the bridgehead-to-bridgehead torsion angles are 13.14 (12), 13.14 (13) and 9.37 (13)°. The compound crystallizes as centrosymmetric carboxyl dimers [O⋯O = 2.6513 (12) Å and O-H⋯O = 178°], which have two orientations within the cell and contain no significant carboxyl disorder. ...[more]

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