Crystal structure of 4,4′-dibromo-2′,5′-dimethoxy-[1,1′-biphenyl]-2,5-dione (BrHBQBr)
| Autor: | Robert M. Metzger, Robin D. Rogers, Joseph E. Meany, Steven P. Kelley, Stephen A. Woski |
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| Jazyk: | angličtina |
| Rok vydání: | 2015 |
| Předmět: |
crystal structure
Stereochemistry Stacking Crystal structure Dihedral angle Ring (chemistry) Research Communications Crystal π–π stacking interactions General Materials Science Halogen bond Crystallography Hydrogen bond Chemistry molecular rectifier Br⋯Br halogen bonding Aromaticity General Chemistry hemibiquinone Condensed Matter Physics hydrogen bonding Br...Br halogen bonding hemibiquinone QD901-999 molecular rectifier π–π stacking interactions |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications, Vol 71, Iss 12, Pp 1454-1456 (2015) Acta Crystallographica Section E: Crystallographic Communications |
| ISSN: | 2056-9890 |
| Popis: | In the crystal, molecules pack in a centrosymmetric fashion and interact via a mixture of weak π–π stacking interactions, weak C—H⋯O hydrogen bonding, and Br⋯Br halogen bonding. This induces a geometry quite different than that predicted by theory. In the title compound, C14H10Br2O4, 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. |
| Databáze: | OpenAIRE |
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