Crystal and molecular structure of 9-chloro-12 vinyltricyclo-[,7)]dodeca-2, 4,6-triene

Ozturk S., Isik S., Akkurt M., Menzek A., Gokmen M., Fun H.

JOURNAL OF MOLECULAR STRUCTURE, vol.611, pp.47-51, 2002 (SCI-Expanded) identifier identifier


The crystal structure of the title compound, C14H15Cl, has beeen determined by single-crystal X-ray diffraction at room temperature. The compound crystallizes in the monoclinic system, space group P2(1)/c. a = 6.4872(1), b = 8.6153(1), c = 20.9541(5) Angstrom, beta = 96.225(1)degrees, V = 1164.2(1) Angstrom(3), Z = 4. The structure was refined by a full-matrix least-squares procedure on F-2 to final R = 0.056 using 2830 reflections with I greater than or equal to 2sigma(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. (C) 2002 Elsevier Science B.V. All rights reserved.