Information card for entry 2226950

Structure parameters

• Common name: 2-Amino-5-bromopyridinium hydrogen glutarate
• Chemical name: 2-amino-5-bromopyridinium 4-carboxybutanoate
• Formula: C10 H13 Br N2 O4
• Calculated formula: C10 H13 Br N2 O4
• SMILES: Brc1c[nH+]c(N)cc1.[O-]C(=O)CCCC(=O)O
• Title of publication: 2-Amino-5-bromopyridinium 4-carboxybutanoate
• Authors of publication: Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 8
• Pages of publication: o1964
• a: 5.1499 ± 0.0012 Å
• b: 14.858 ± 0.004 Å
• c: 16.022 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1226 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 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: 0.0684
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes