Information card for entry 2227306

Structure parameters

• Common name: 2-amino-5-bromopyridinium hydrogen maleate
• Chemical name: 2-Amino-5-bromopyridinium 3-carboxyprop-2-enoate
• Formula: C9 H9 Br N2 O4
• Calculated formula: C9 H9 Br N2 O4
• SMILES: Brc1ccc([nH+]c1)N.OC(=O)/C=C\C(=O)[O-]
• Title of publication: 2-Amino-5-bromopyridinium 3-carboxyprop-2-enoate
• Authors of publication: Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: o2200 - o2201
• a: 5.7434 ± 0.0001 Å
• b: 9.5871 ± 0.0001 Å
• c: 10.3034 ± 0.0002 Å
• α: 80.455 ± 0.001°
• β: 74.175 ± 0.001°
• γ: 85.123 ± 0.001°
• Cell volume: 537.799 ± 0.015 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.024
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes