Information card for entry 7219234

Structure parameters

• Common name: 2-ODHPCA
• Chemical name: 2-oxo-1,2-dihydro-3-pyridinecarboxylic acid
• Formula: C6 H5 N O3
• Calculated formula: C6 H5 N O3
• SMILES: c1(=O)c(ccc[nH]1)C(=O)O
• Title of publication: Solid-state identity of 2-hydroxynicotinic acid and its polymorphism
• Authors of publication: Long, Sihui; Zhou, Panpan; Theiss, Kathryn L.; Siegler, Maxime A.; Li, Tonglei
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 28
• Pages of publication: 5195
• a: 3.725 ± 0.001 Å
• b: 7.368 ± 0.002 Å
• c: 20.417 ± 0.004 Å
• α: 90°
• β: 91.47 ± 0.01°
• γ: 90°
• Cell volume: 560.2 ± 0.2 ų
• Cell temperature: 90 ± 0.2 K
• Ambient diffraction temperature: 90 ± 0.2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1172
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No