Information card for entry 2017486

Structure parameters

• Common name: 3-aminopyridinium hydrogen L-tartrate dihydrate
• Chemical name: 3-aminopyridinium hydrogen (2<i>R</i>,3<i>R</i>)-tartrate dihydrate
• Formula: C9 H16 N2 O8
• Calculated formula: C9 H16 N2 O8
• SMILES: OC(=O)[C@H](O)[C@@H](O)C(=O)[O-].[nH+]1cc(N)ccc1.O.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: 7.3073 ± 0.0012 Å
• b: 12.1065 ± 0.0013 Å
• c: 14.541 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1286.4 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0485
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0978
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes