Information card for entry 2010904

Structure parameters

• Common name: picolinic acid N-oxide
• Chemical name: 2-carboxypyridine-N-oxide'
• Formula: C6 H5 N O3
• Calculated formula: C6 H5 N O3
• SMILES: O=n1c(cccc1)C(=O)O
• Title of publication: Strong intramolecular O—H···O hydrogen bonds in quinaldic acid <i>N</i>-oxide and picolinic acid <i>N</i>-oxide
• Authors of publication: Steiner, Thomas; Schreurs, Antoine M. M.; Lutz, Martin; Kroon, Jan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 5
• Pages of publication: 577 - 579
• a: 6.802 ± 0.0011 Å
• b: 6.066 ± 0.002 Å
• c: 7.804 ± 0.0013 Å
• α: 90°
• β: 112.61 ± 0.011°
• γ: 90°
• Cell volume: 297.25 ± 0.12 ų
• Cell temperature: 125 K
• Ambient diffraction temperature: 125 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for all reflections included in the refinement: 0.0955
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes