Information card for entry 2228660

Structure parameters

• Chemical name: 2-Amino-4-methylpyridinium 6-carboxypyridine-2-carboxylate methanol monosolvate
• Formula: C14 H17 N3 O5
• Calculated formula: C14 H17 N3 O5
• SMILES: OC(=O)c1nc(ccc1)C(=O)[O-].OC.[nH+]1c(N)cc(cc1)C
• Title of publication: 2-Amino-4-methylpyridinium 6-carboxypyridine-2-carboxylate methanol monosolvate
• Authors of publication: Aghabozorg, Hossein; Mofidi Rouchi, Azadeh; Mirzaei, Masoud; Notash, Behrouz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o54
• a: 7.2191 ± 0.0014 Å
• b: 9.5095 ± 0.0019 Å
• c: 11.139 ± 0.002 Å
• α: 94.44 ± 0.03°
• β: 99.76 ± 0.03°
• γ: 92.5 ± 0.03°
• Cell volume: 750.1 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 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: 0.1189
• Residual factor for significantly intense reflections: 0.0793
• Weighted residual factors for significantly intense reflections: 0.1942
• Weighted residual factors for all reflections included in the refinement: 0.2161
• 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