Information card for entry 2017488

Structure parameters

• Common name: picolinic acid hydrogen L-tartrate monohydrate
• Chemical name: 2-carboxypyridinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate monohydrate
• Formula: C10 H13 N O9
• Calculated formula: C10 H13 N O9
• SMILES: OC(=O)[C@H](O)[C@@H](O)C(=O)[O-].O=C(O)c1[nH+]cccc1.O
• Title of publication: Three-dimensional hydrogen-bonded structures in the 1:1 proton-transfer compounds of <small>L</small>-tartaric acid with the associative-group monosubstituted pyridines 3-aminopyridine, 3-carboxypyridine (nicotinic acid) and 2-carboxypyridine (picolinic acid)
• Authors of publication: Smith, Graham; Wermuth, Urs D.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 1
• Pages of publication: o5 - o10
• a: 7.1536 ± 0.0004 Å
• b: 7.8273 ± 0.0003 Å
• c: 22.0145 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1232.67 ± 0.1 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0608
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1021
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes