Information card for entry 2015884

Structure parameters

• Common name: sodium nicotinate
• Chemical name: Sodium 3-pyridine-3-carboxylate
• Formula: C6 H4 N Na O2
• Calculated formula: C6 H4 N Na O2
• SMILES: [Na+].C(=O)(c1cccnc1)[O-]
• Title of publication: Sodium pyridine-3-carboxylate
• Authors of publication: Forsyth, Craig M.; Dean, Pamela M.; MacFarlane, Douglas R.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 4
• Pages of publication: m169 - m170
• a: 20.1983 ± 0.0007 Å
• b: 14.188 ± 0.0005 Å
• c: 6.3 ± 0.0002 Å
• α: 90°
• β: 99.935 ± 0.013°
• γ: 90°
• Cell volume: 1778.34 ± 0.13 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0305
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0821
• Weighted residual factors for all reflections included in the refinement: 0.0835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes