Information card for entry 2202157

Structure parameters

• Common name: 2-amino-6-bromo-pyridinium bromide
• Chemical name: 2-amino-6-bromo-pyridinium bromide
• Formula: C5 H6 Br2 N2
• Calculated formula: C5 H6 Br2 N2
• SMILES: c1(cccc([nH+]1)N)Br.[Br-]
• Title of publication: 2-Amino-6-bromopyridinium bromide
• Authors of publication: Holmes, Brian T.; Padgett, Clifford W.; Pennington, William T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: o862 - o864
• a: 6.923 ± 0.001 Å
• b: 11.616 ± 0.002 Å
• c: 19.413 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1561.1 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0601
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.1062
• Weighted residual factors for all reflections included in the refinement: 0.1162
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes