Information card for entry 4508717

Structure parameters

• Common name: 3-Hydroxy-2-methylpyridine-N-oxide
• Chemical name: 3-Hydroxy-2-methylpyridine-N-oxide
• Formula: C6 H7 N O2
• Calculated formula: C6 H7 N O2
• SMILES: n1(=O)c(c(O)ccc1)C
• Title of publication: Using Halogen···Halogen Interactions to Direct Noncentrosymmetric Crystal Packing in Dipolar Organic Molecules
• Authors of publication: Saha, Binoy K.; Nangia, Ashwini; Nicoud, Jean-François
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 6
• Pages of publication: 1278
• a: 4.6258 ± 0.0009 Å
• b: 10.3353 ± 0.0019 Å
• c: 12.677 ± 0.002 Å
• α: 90°
• β: 99.27 ± 0.003°
• γ: 90°
• Cell volume: 598.16 ± 0.19 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1346
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No