Crystal and Molecular Structure of 9-Chloro Vinyltricyclo-[6.3.1.02,7]dodeca 4,6-Triene

Abstract

The crystal structure of the title compound, C<inf>14</inf>H<inf>15</inf>Cl, has beeen determined by single-crystal x-ray diffraction at room temperature. The compound crystallizes in the monoclinic system, space group P2<inf>1</inf>/c. a = 6.4872(1), b = 8.6153(1), c = 20.9541(5) Å, β = 96.225(1)°, V = 1164.2(1) Å3, Z = 4. The structure was refined by a full-matrix least-squares procedure on F2 to final R = 0.056 using 2830 reflections with I ≥ 2σ(I). The molecule mainly consists of two non-planar carbon rings fused to the benzene ring at the carbon atoms (C5 and C11). The structure predicted from chemical and spectral analysis has been confirmed by an x-ray crystallographic analysis. © 2002 Elsevier Science B.V. All rights reserved.