Information card for entry 2226900

Structure parameters

• Chemical name: 2-Amino-5-bromopyridine‒4-hydroxybenzoic acid (1/1)
• Formula: C12 H11 Br N2 O3
• Calculated formula: C12 H11 Br N2 O3
• SMILES: Nc1ccc(cn1)Br.Oc1ccc(cc1)C(=O)O
• Title of publication: 2-Amino-5-bromopyridine‒4-hydroxybenzoic acid (1/1)
• Authors of publication: Quah, Ching Kheng; 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: o1935 - o1936
• a: 21.37 ± 0.012 Å
• b: 3.99 ± 0.002 Å
• c: 28.939 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2468 ± 2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0777
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1361
• Weighted residual factors for all reflections included in the refinement: 0.1479
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes