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(5Z,7Z,9Z)-5,10-Dibromobenzo[8]annulene
In the structure of the title compound, C(12)H(8)Br(2), 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 a...
Autores principales: | , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2013
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884309/ https://www.ncbi.nlm.nih.gov/pubmed/24454085 http://dx.doi.org/10.1107/S1600536813027797 |
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author | Bender, Christopher O. Boeré, René T. |
author_facet | Bender, Christopher O. Boeré, René T. |
author_sort | Bender, Christopher O. |
collection | PubMed |
description | In the structure of the title compound, C(12)H(8)Br(2), 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. |
format | Online Article Text |
id | pubmed-3884309 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2013 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-38843092014-01-17 (5Z,7Z,9Z)-5,10-Dibromobenzo[8]annulene Bender, Christopher O. Boeré, René T. Acta Crystallogr Sect E Struct Rep Online Organic Papers In the structure of the title compound, C(12)H(8)Br(2), 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. International Union of Crystallography 2013-10-16 /pmc/articles/PMC3884309/ /pubmed/24454085 http://dx.doi.org/10.1107/S1600536813027797 Text en © Bender and Boeré 2013 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Organic Papers Bender, Christopher O. Boeré, René T. (5Z,7Z,9Z)-5,10-Dibromobenzo[8]annulene |
title | (5Z,7Z,9Z)-5,10-Dibromobenzo[8]annulene |
title_full | (5Z,7Z,9Z)-5,10-Dibromobenzo[8]annulene |
title_fullStr | (5Z,7Z,9Z)-5,10-Dibromobenzo[8]annulene |
title_full_unstemmed | (5Z,7Z,9Z)-5,10-Dibromobenzo[8]annulene |
title_short | (5Z,7Z,9Z)-5,10-Dibromobenzo[8]annulene |
title_sort | (5z,7z,9z)-5,10-dibromobenzo[8]annulene |
topic | Organic Papers |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884309/ https://www.ncbi.nlm.nih.gov/pubmed/24454085 http://dx.doi.org/10.1107/S1600536813027797 |
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