Information card for entry 4508713

Structure parameters

• Common name: 3-hydroxy-2-methylpyridine
• Chemical name: 3-hydroxy-2-methylpyridine
• Formula: C6 H7 N O
• Calculated formula: C6 H7 N O
• SMILES: Oc1cccnc1C
• 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: 11.053 ± 0.002 Å
• b: 9.6151 ± 0.0019 Å
• c: 11.316 ± 0.002 Å
• α: 90°
• β: 100.64 ± 0.03°
• γ: 90°
• Cell volume: 1181.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.2062
• Residual factor for significantly intense reflections: 0.1495
• Weighted residual factors for significantly intense reflections: 0.2791
• Weighted residual factors for all reflections included in the refinement: 0.305
• Goodness-of-fit parameter for all reflections included in the refinement: 1.323
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No