Information card for entry 1542454

Structure parameters

• Chemical name: 2-Bromo-5-methylpyridine
• Formula: C6 H6 Br N
• Calculated formula: C6 H6 Br N
• SMILES: c1(ccc(cn1)C)Br
• Title of publication: 2-Bromo-5-methylpyridine
• Authors of publication: Roy, Mrittika; Golen, James A.; Manke, David R.
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 1
• Pages of publication: x160090
• a: 6.1889 ± 0.0018 Å
• b: 6.614 ± 0.002 Å
• c: 7.835 ± 0.002 Å
• α: 90°
• β: 93.503 ± 0.009°
• γ: 90°
• Cell volume: 320.11 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 4
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0273
• Residual factor for significantly intense reflections: 0.0228
• Weighted residual factors for significantly intense reflections: 0.0556
• Weighted residual factors for all reflections included in the refinement: 0.0596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes