Information card for entry 2238929

Structure parameters

• Chemical name: 2-Bromo-3-hydroxy-6-methylpyridine
• Formula: C6 H6 Br N O
• Calculated formula: C6 H6 Br N O
• SMILES: Cc1ccc(c(n1)Br)O
• Title of publication: 2-Bromo-3-hydroxy-6-methylpyridine
• Authors of publication: Singh, Govind Pratap; Rajesh Goud, N.; Jeevan Kumar, P.; Sundaresan, C. N.; Nageswara Rao, G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 12
• Pages of publication: o1729
• a: 11.4484 ± 0.0019 Å
• b: 9.0914 ± 0.0015 Å
• c: 13.23 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1377 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0328
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No