Synthesis, Properties and Crystal Structure Determination of a Perchloroheptafulvalene Isomer

Abstract

Crystals of the syn-perchloroheptafulvalene isomer, C14Cl12, crystallize in the space group C2/c with a 12.376(6), b 10.980(4), c 15.242(4)Ǻ and β 100.54(3)°. The structure analysis of the isomer indicates molecular packing disorder into two orientations about the centre of symmetry. In the final full-matrix least-squares refinement the conventional R value converged at 0.042. Formation of the syn isomer is most likely to proceed through the perchloroheptatrienyl anion which can dimerize and form syn-perchloroheptafulvalene by cis elimination of lithium chloride.