Information card for entry 4025410

Structure parameters

• Chemical name: 5,5'-Dibromo-2,2'-dichloro-[4,4']bipyridinyl
• Formula: C10 H4 Br2 Cl2 N2
• Calculated formula: C10 H4 Br2 Cl2 N2
• SMILES: c1(cc(c(cn1)Br)c1cc(ncc1Br)Cl)Cl
• Title of publication: Synthesis of Polyhalogenated 4,4'-Bipyridines via a Simple Dimerization Procedure
• Authors of publication: Mohamed Abboud; Victor Mamane; Emmanuel Aubert; Claude Lecomte; Yves Fort
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2010
• Journal volume: 75
• Pages of publication: 3224 - 3231
• a: 8.4513 ± 0.0002 Å
• b: 11.8642 ± 0.0002 Å
• c: 11.7832 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1181.48 ± 0.05 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0447
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No