Information card for entry 4025414

Structure parameters

• Chemical name: 5'-Bromo-6,2'-dichloro-[2,4']bipyridinyl
• Formula: C10 H5 Br Cl2 N2
• Calculated formula: C10 H5 Br Cl2 N2
• SMILES: Brc1cnc(Cl)cc1c1nc(Cl)ccc1
• 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: 13.6345 ± 0.0003 Å
• b: 3.8144 ± 0.0001 Å
• c: 19.833 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1031.46 ± 0.04 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No