Information card for entry 2226920

Structure parameters

• Common name: 2-amino-4-methylpyridinium salicylate
• Chemical name: 2-Amino-4-methylpyridinium 2-hydroxybenzoate
• Formula: C13 H14 N2 O3
• Calculated formula: C13 H14 N2 O3
• SMILES: [nH+]1c(N)cc(cc1)C.O=C([O-])c1c(O)cccc1
• Title of publication: 2-Amino-4-methylpyridinium 2-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: 8
• Pages of publication: o2151 - o2152
• a: 7.2417 ± 0.0002 Å
• b: 12.552 ± 0.0003 Å
• c: 14.7699 ± 0.0003 Å
• α: 68.752 ± 0.002°
• β: 82.038 ± 0.002°
• γ: 88.824 ± 0.002°
• Cell volume: 1238.58 ± 0.05 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1038
• Residual factor for significantly intense reflections: 0.0561
• Weighted residual factors for significantly intense reflections: 0.133
• Weighted residual factors for all reflections included in the refinement: 0.1552
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes