Information card for entry 2218434

Structure parameters

• Chemical name: 5-Bromo-2-methylpyridine N-oxide
• Formula: C6 H6 Br N O
• Calculated formula: C6 H6 Br N O
• SMILES: Brc1cn(=O)c(cc1)C
• Title of publication: 5-Bromo-2-methylpyridine <i>N</i>-oxide
• Authors of publication: Liu, Bo-Nian; Tang, Shi-Gui; Li, Hao-Yuan; Xu, Ye-Ming; Guo, Cheng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 6
• Pages of publication: o1060
• a: 7.306 ± 0.0015 Å
• b: 11.351 ± 0.002 Å
• c: 8.495 ± 0.0017 Å
• α: 90°
• β: 111.01 ± 0.03°
• γ: 90°
• Cell volume: 657.7 ± 0.3 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0634
• Weighted residual factors for significantly intense reflections: 0.143
• Weighted residual factors for all reflections included in the refinement: 0.1621
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes