Polyfluorobicyclo[2.2.1]heptanes. Part IX. Crystal and molecular structure of 1,4-dibenzoyldecafluoronorbornane

Abstract

Crystals of the title compound are triclinic, space group P, with Z= 2 and cell parameters a= 7·321 ± 0·005, b= 11·566 ± 0·006, c= 13·227 ± 0·006 Å, α= 110·38 ± 0·05, β= 67·18 ± 0·05, γ= 82·40 ± 0·05°. The structure was solved by direct methods and refined by least-squares to a final R of 4·9% for 2770 X-ray counter-data. Estimated standard deviations for bond lengths, bond angles, and torsion angles average ca. 0·007 Å, 0·3, and 0·5°. The decafluoronorbornane system approximates closely to C_2v symmetry. The bridge angle is 98·2° and the flap angle 115·7°, respectively 3 and 5° greater than the means determined by gas-phase electron diffraction studies on the parent hydrocarbon.