Information card for entry 2238195

Structure parameters

• Chemical name: 2-Amino-5-methylpyridinium 3-hydroxypyridine-2-carboxylate
• Formula: C12 H13 N3 O3
• Calculated formula: C12 H13 N3 O3
• SMILES: Oc1cccnc1C(=O)[O-].[nH+]1c(N)ccc(c1)C
• Title of publication: 2-Amino-5-methylpyridinium 3-hydroxypyridine-2-carboxylate
• Authors of publication: Farhadikoutenaei, Abbas; Thanigaimani, Kaliyaperumal; Arshad, Suhana; Razak, Ibrahim Abdul
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 7
• Pages of publication: o1118 - o1119
• a: 7.3443 ± 0.0004 Å
• b: 16.4321 ± 0.0009 Å
• c: 10.8235 ± 0.0005 Å
• α: 90°
• β: 118.25 ± 0.003°
• γ: 90°
• Cell volume: 1150.62 ± 0.11 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 4
• 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: 0.0415
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.1087
• Weighted residual factors for all reflections included in the refinement: 0.1148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes