The crystal and molecular structure of [2,2]Metacyclophan-1-ene

Abstract

Crystals of [2,2]metacyclophan-1-ene, C₁₆H₁₄, are orthorhombic, with a 10.932(1), b 17.336(1), c 12.089(1) Ǻ, space group Pbca and Z 8. The structure was solved from diffractometer data [1055 independent reflections with I ≥ 3σ(I)] by direct methods. Full-matrix least- squares refinement of all atoms converged at R 0.047, R_w 0.033. The aromatic rings exhibit distortions from planarity with a maximum deviation of 0.16 Ǻ; these distortions are due to the short C...C contact of 2.59 Ǻ between the benzene rings.