Information card for entry 2225392

Structure parameters

• Chemical name: 2-Amino-5-chloropyridinium 4-hydroxybenzoate
• Formula: C12 H11 Cl N2 O3
• Calculated formula: C12 H11 Cl N2 O3
• SMILES: Clc1ccc([nH+]c1)N.Oc1ccc(cc1)C(=O)[O-]
• Title of publication: 2-Amino-5-chloropyridinium 4-hydroxybenzoate
• 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: o557
• a: 10.0893 ± 0.0003 Å
• b: 11.7612 ± 0.0004 Å
• c: 11.6634 ± 0.0003 Å
• α: 90°
• β: 116.113 ± 0.002°
• γ: 90°
• Cell volume: 1242.74 ± 0.07 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.057
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.1
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes