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Abstract
In the structure of the title compound, C12H8Br2, the two bromine substituents are oriented exo to the boat-shaped cyclooctatetraene at the two ring sites that are β to the ring fusion positions. The average Br—C bond distance is 1.919 (2) Å, the average distance for C=C double bonds that are Br substituted is 1.328 (2) Å, while the other two double-bond distances are 1.327 (2) and 1.398 (2) Å for the non-fused and fused bonds, respectively. Each type of ring interatomic distance is within s.u. of the average values for the four known structures, including the title compound, of benzo-fused cycloocatatetraenes that are not coordinated to a metal atom. The crystal structure features short Br⋯Br [3.6620 (3) Å] and C⋯H [2.834 (2) and 2.841 (2) Å] contacts.
Highlights
In the structure of the title compound, C12H8Br2, the two bromine substituents are oriented exo to the boat-shaped cyclooctatetraene at the two ring sites that are to the ring fusion positions
Each type of ring interatomic distance is within s.u. of the average values for the four known structures, including the title compound, of benzo-fused cycloocatatetraenes that are not coordinated to a metal atom
The diffractometer at the University of Lethbridge X-ray Diffraction Facility was purchased with the help of NSERC and the University
Summary
R factor = 0.017; wR factor = 0.039; data-to-parameter ratio = 19.1. In the structure of the title compound, C12H8Br2, the two bromine substituents are oriented exo to the boat-shaped cyclooctatetraene at the two ring sites that are to the ring fusion positions. 1.919 (2) Å, the average distance for C C double bonds that are Br substituted is 1.328 (2) Å, while the other two doublebond distances are 1.327 (2) and 1.398 (2) Å for the non-fused and fused bonds, respectively. Each type of ring interatomic distance is within s.u. of the average values for the four known structures, including the title compound, of benzo-fused cycloocatatetraenes that are not coordinated to a metal atom. C H [2.834 (2) and 2.841 (2) Å] contacts
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