Information card for entry 2220613

Structure parameters

• Chemical name: 3-Amino-5-bromo-2-iodopyridine
• Formula: C5 H4 Br I N2
• Calculated formula: C5 H4 Br I N2
• SMILES: Ic1ncc(Br)cc1N
• Title of publication: 3-Amino-5-bromo-2-iodopyridine
• Authors of publication: Bunker, Kevin D.; Sach, Neal W.; Nukui, Seiji; Rheingold, Arnold L.; Yanovsky, Alex
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 1
• Pages of publication: o28
• a: 4.0983 ± 0.0012 Å
• b: 15.172 ± 0.004 Å
• c: 12.038 ± 0.003 Å
• α: 90°
• β: 90.152 ± 0.005°
• γ: 90°
• Cell volume: 748.5 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes