Information card for entry 2241457

Structure parameters

• Common name: <i>N</i>-Hydroxypicolinamide monohydrate
• Chemical name: <i>N</i>-Hydroxypyridine-2-carboxamide monohydrate
• Formula: C6 H8 N2 O3
• Calculated formula: C6 H8 N2 O3
• SMILES: O=C(NO)c1ncccc1.O
• Title of publication: Crystal structure of <i>N</i>-hydroxypicolinamide monohydrate
• Authors of publication: Safyanova, Inna S.; Ohui, Kateryna A.; Omelchenko, Irina V.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 2
• Pages of publication: 117 - 119
• a: 18.7471 ± 0.0013 Å
• b: 3.8129 ± 0.0004 Å
• c: 20.4813 ± 0.0017 Å
• α: 90°
• β: 100.57 ± 0.007°
• γ: 90°
• Cell volume: 1439.2 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• 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: 0.0686
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1323
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes