Information card for entry 1543275

Structure parameters

• Chemical name: 2-Amino-6-methylpyridinium 2-hydroxybenzoate
• Formula: C13 H14 N2 O3
• Calculated formula: C13 H14 N2 O3
• SMILES: c1cccc(c1C(=O)[O-])O.c1(cccc([nH+]1)N)C
• Title of publication: 2-Amino-6-methylpyridinium 2-hydroxybenzoate
• Authors of publication: Sivakumar, P.; Sudhahar, S.; Israel, S.; Chakkaravarthi, G.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 5
• Pages of publication: x160747
• a: 14.1096 ± 0.0006 Å
• b: 14.1096 ± 0.0006 Å
• c: 24.6537 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4908.1 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.1063
• Residual factor for significantly intense reflections: 0.0546
• Weighted residual factors for significantly intense reflections: 0.1401
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes