Information card for entry 2232830

Structure parameters

• Chemical name: 5-bromo-<i>N</i>^3^-[(<i>E</i>)-(6-bromopyridin-2-yl)methylidene]pyridine- 3,4-diamine
• Formula: C11 H8 Br2 N4
• Calculated formula: C11 H8 Br2 N4
• SMILES: Brc1nc(/C=N/c2c(c(Br)cnc2)N)ccc1
• Title of publication: 5-Bromo-<i>N</i>^3^-[(<i>E</i>)-(6-bromopyridin-2-yl)methylidene]pyridine-3,4-diamine
• Authors of publication: Cai, Mingjian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3402
• a: 24.941 ± 0.002 Å
• b: 3.8306 ± 0.0006 Å
• c: 15.0868 ± 0.0014 Å
• α: 90°
• β: 126.116 ± 0.014°
• γ: 90°
• Cell volume: 1164.4 ± 0.3 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0292
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes