Information card for entry 7038537

Structure parameters

• Common name: 5-hydroxy-2-hydroxymethylpyridin-4(1H)-one
• Formula: C6 H7 N O3
• Calculated formula: C6 H7 N O3
• SMILES: [O]=c1cc([nH]cc1O)CO
• Title of publication: Hydroxypyridinones with enhanced iron chelating properties. Synthesis, characterization and in vivo tests of 5-hydroxy-2-(hydroxymethyl)pyridine-4(1H)-one.
• Authors of publication: Lachowicz, J. I.; Nurchi, V. M.; Crisponi, G.; Jaraquemada-Pelaez, M G; Arca, M.; Pintus, A.; Santos, M. A.; Quintanova, C.; Gano, L.; Szewczuk, Z.; Zoroddu, M. A.; Peana, M.; Domínguez-Martín, A; Choquesillo-Lazarte, D
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 6517 - 6528
• a: 6.841 ± 0.0004 Å
• b: 7.0291 ± 0.0003 Å
• c: 12.6402 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 607.82 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0278
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No