Information card for entry 2226297

Structure parameters

• Common name: 2-amino-5-chloropyridinium salicylate
• Chemical name: 2-amino-5-chloropyridinium 2-hydroxybenzoate
• Formula: C12 H11 Cl N2 O3
• Calculated formula: C12 H11 Cl N2 O3
• SMILES: Clc1c[nH+]c(N)cc1.Oc1ccccc1C(=O)[O-]
• Title of publication: 2-Amino-5-chloropyridinium salicylate
• Authors of publication: Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1418 - o1419
• a: 6.7403 ± 0.0006 Å
• b: 14.5574 ± 0.0012 Å
• c: 13.2857 ± 0.0009 Å
• α: 90°
• β: 115.55 ± 0.004°
• γ: 90°
• Cell volume: 1176.13 ± 0.17 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: 0.0426
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.124
• Goodness-of-fit parameter for all reflections included in the refinement: 1.173
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes