Information card for entry 2225300

Structure parameters

• Chemical name: 2-Amino-5-bromopyridinium hydrogen succinate
• Formula: C9 H11 Br N2 O4
• Calculated formula: C9 H11 Br N2 O4
• SMILES: [O-]C(=O)CCC(=O)O.Brc1c[nH+]c(N)cc1
• Title of publication: 2-Amino-5-bromopyridinium hydrogen succinate
• Authors of publication: Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o689 - o690
• a: 5.3275 ± 0.0002 Å
• b: 13.6226 ± 0.0005 Å
• c: 15.1687 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1100.86 ± 0.07 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0333
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0544
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes