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Crystal structure of 4,4′-dibromo-2′,5′-dimethoxy-[1,1′-biphenyl]-2,5-dione (BrHBQBr)
In the title compound, C(14)H(10)Br(2)O(4), the dihedral angle between the aromatic rings is 67.29 (19)°. Both methoxy-group C atoms lie close to the plane of their attached ring [deviations = −0.130 (4) and 0.005 (5) Å]. In the crystal, molecules pack in a centrosymmetric fashion and interact vi...
| Autores principales: | , , , , |
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| Formato: | Online Artículo Texto |
| Lenguaje: | English |
| Publicado: |
International Union of Crystallography
2015
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| Materias: | |
| Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719812/ https://www.ncbi.nlm.nih.gov/pubmed/26870403 http://dx.doi.org/10.1107/S2056989015020472 |
| _version_ | 1782410978740142080 |
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| author | Meany, Joseph E. Kelley, Steven P. Metzger, Robert M. Rogers, Robin D. Woski, Stephen A. |
| author_facet | Meany, Joseph E. Kelley, Steven P. Metzger, Robert M. Rogers, Robin D. Woski, Stephen A. |
| author_sort | Meany, Joseph E. |
| collection | PubMed |
| description | In the title compound, C(14)H(10)Br(2)O(4), the dihedral angle between the aromatic rings is 67.29 (19)°. Both methoxy-group C atoms lie close to the plane of their attached ring [deviations = −0.130 (4) and 0.005 (5) Å]. In the crystal, molecules pack in a centrosymmetric fashion and interact via a mixture of weak π–π stacking interactions [centroid–centoid separations = 4.044 (2) and 4.063 (3) Å], weak C—H⋯O hydrogen bonding, and Br⋯Br halogen bonding. This induces a geometry quite different than that predicted by theory. |
| format | Online Article Text |
| id | pubmed-4719812 |
| institution | National Center for Biotechnology Information |
| language | English |
| publishDate | 2015 |
| publisher | International Union of Crystallography |
| record_format | MEDLINE/PubMed |
| spelling | pubmed-47198122016-02-11 Crystal structure of 4,4′-dibromo-2′,5′-dimethoxy-[1,1′-biphenyl]-2,5-dione (BrHBQBr) Meany, Joseph E. Kelley, Steven P. Metzger, Robert M. Rogers, Robin D. Woski, Stephen A. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, C(14)H(10)Br(2)O(4), the dihedral angle between the aromatic rings is 67.29 (19)°. Both methoxy-group C atoms lie close to the plane of their attached ring [deviations = −0.130 (4) and 0.005 (5) Å]. In the crystal, molecules pack in a centrosymmetric fashion and interact via a mixture of weak π–π stacking interactions [centroid–centoid separations = 4.044 (2) and 4.063 (3) Å], weak C—H⋯O hydrogen bonding, and Br⋯Br halogen bonding. This induces a geometry quite different than that predicted by theory. International Union of Crystallography 2015-11-04 /pmc/articles/PMC4719812/ /pubmed/26870403 http://dx.doi.org/10.1107/S2056989015020472 Text en © Meany et al. 2015 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 | Research Communications Meany, Joseph E. Kelley, Steven P. Metzger, Robert M. Rogers, Robin D. Woski, Stephen A. Crystal structure of 4,4′-dibromo-2′,5′-dimethoxy-[1,1′-biphenyl]-2,5-dione (BrHBQBr) |
| title | Crystal structure of 4,4′-dibromo-2′,5′-dimethoxy-[1,1′-biphenyl]-2,5-dione (BrHBQBr) |
| title_full | Crystal structure of 4,4′-dibromo-2′,5′-dimethoxy-[1,1′-biphenyl]-2,5-dione (BrHBQBr) |
| title_fullStr | Crystal structure of 4,4′-dibromo-2′,5′-dimethoxy-[1,1′-biphenyl]-2,5-dione (BrHBQBr) |
| title_full_unstemmed | Crystal structure of 4,4′-dibromo-2′,5′-dimethoxy-[1,1′-biphenyl]-2,5-dione (BrHBQBr) |
| title_short | Crystal structure of 4,4′-dibromo-2′,5′-dimethoxy-[1,1′-biphenyl]-2,5-dione (BrHBQBr) |
| title_sort | crystal structure of 4,4′-dibromo-2′,5′-dimethoxy-[1,1′-biphenyl]-2,5-dione (brhbqbr) |
| topic | Research Communications |
| url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719812/ https://www.ncbi.nlm.nih.gov/pubmed/26870403 http://dx.doi.org/10.1107/S2056989015020472 |
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