Information card for entry 2224122

Structure parameters

• Chemical name: 2-Iodo-3-methoxy-6-methylpyridine
• Formula: C7 H8 I N O
• Calculated formula: C7 H8 I N O
• SMILES: COc1ccc(nc1I)C
• Title of publication: 2-Iodo-3-methoxy-6-methylpyridine
• Authors of publication: Guo, Wenbo; Liu, Xueqin; Li, Long; Deng, Dongsheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: o3269
• a: 7.7974 ± 0.0009 Å
• b: 10.8302 ± 0.0012 Å
• c: 16.2898 ± 0.0018 Å
• α: 106.093 ± 0.001°
• β: 90.633 ± 0.001°
• γ: 103.636 ± 0.001°
• Cell volume: 1280.2 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0291
• Weighted residual factors for significantly intense reflections: 0.0563
• Weighted residual factors for all reflections included in the refinement: 0.0622
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes