Information card for entry 2232297

Structure parameters

• Common name: 2,3-diaminopyridinium salicylate
• Chemical name: 2,3-Diaminopyridinium 2-hydroxybenzoate
• Formula: C12 H13 N3 O3
• Calculated formula: C12 H13 N3 O3
• SMILES: [nH+]1c(N)c(N)ccc1.Oc1ccccc1C(=O)[O-]
• Title of publication: 2,3-Diaminopyridinium 2-hydroxybenzoate
• Authors of publication: Hemamalini, Madhukar; Goh, Jia Hao; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: o3121
• a: 10.484 ± 0.003 Å
• b: 11.26 ± 0.003 Å
• c: 20.033 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2364.9 ± 1.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0499
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes