Information card for entry 2209252

Structure parameters

• Chemical name: 4-Bromo-2-[(5-methylpyridin-2-ylimino)methyl]phenol
• Formula: C13 H11 Br N2 O
• Calculated formula: C13 H11 Br N2 O
• SMILES: Brc1ccc(O)c(c1)/C=N/c1ncc(cc1)C
• Title of publication: 4-Bromo-2-[(5-methylpyridin-2-ylimino)methyl]phenol
• Authors of publication: Yang, De-Suo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 6
• Pages of publication: o2365 - o2366
• a: 24.245 ± 0.004 Å
• b: 4.358 ± 0.001 Å
• c: 11.401 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1204.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes