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(5Z,7Z,9Z)-5,10-Di-bromo-benzo[8]annulene.

ABSTRACT: In the structure of the title compound, C12H8Br2, the two bromine substituents are oriented exo to the boat-shaped cyclo-octa-tetra-ene at the two ring sites that are ? 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 inter-atomic distance is within s.u. of the average values for the four known structures, including the title compound, of benzo-fused cyclo-ocata-tetra-enes 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.

SUBMITTER: Bender CO

PROVIDER: S-EPMC3884309 | biostudies-literature | 2013 Oct

REPOSITORIES: biostudies-literature

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(5Z,7Z,9Z)-5,10-Di-bromo-benzo[8]annulene.

Bender Christopher O CO Boeré René T RT

Acta crystallographica. Section E, Structure reports online 20131016 Pt 11

In the structure of the title compound, C12H8Br2, the two bromine substituents are oriented exo to the boat-shaped cyclo-octa-tetra-ene 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 inter-atomic distance is within s ...[more]

PMID: 24454085

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