Information card for entry 2229769

Structure parameters

• Common name: <i>N</i>,<i>N'</i>-bis(5-Bromopyridin-2-yl)methanediamine
• Chemical name: 5-bromo-<i>N</i>-{[(5-bromopyridin-2-yl)amino]methyl}pyridin-2-amine
• Formula: C11 H10 Br2 N4
• Calculated formula: C11 H10 Br2 N4
• SMILES: Brc1ccc(nc1)NCNc1ccc(cn1)Br
• Title of publication: <i>N</i>,<i>N</i>'-Bis(5-bromopyridin-2-yl)methanediamine
• Authors of publication: Nichol, Gary S.; Sharma, Anuj; Li, Hong-Yu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o833
• a: 11.9075 ± 0.0006 Å
• b: 4.0523 ± 0.0002 Å
• c: 25.8065 ± 0.0015 Å
• α: 90°
• β: 98.326 ± 0.003°
• γ: 90°
• Cell volume: 1232.11 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0245
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.0488
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes