Information card for entry 2017487

Structure parameters

• Common name: nicotinic acid hydrogen L-tartrate
• Chemical name: 3-carboxypyridinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate
• Formula: C10 H11 N O8
• Calculated formula: C10 H11 N O8
• SMILES: OC(=O)[C@H](O)[C@@H](O)C(=O)[O-].O=C(O)c1c[nH+]ccc1
• 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: 6.5792 ± 0.0002 Å
• b: 7.7637 ± 0.0002 Å
• c: 21.683 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1107.54 ± 0.05 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: 0.0377
• Residual factor for significantly intense reflections: 0.0294
• Weighted residual factors for significantly intense reflections: 0.0644
• Weighted residual factors for all reflections included in the refinement: 0.0662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes