Information card for entry 2208497

Structure parameters

• Chemical name: 2,4-Dibromo-6-(4-methylpyridin-2-yliminomethyl)phenol
• Formula: C13 H10 Br2 N2 O
• Calculated formula: C13 H10 Br2 N2 O
• SMILES: Brc1c(O)c(cc(Br)c1)/C=N/c1nccc(c1)C
• Title of publication: 2,4-Dibromo-6-(4-methylpyridin-2-yliminomethyl)phenol
• Authors of publication: Yang, De-Suo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 4
• Pages of publication: o1395 - o1396
• a: 6.077 ± 0.001 Å
• b: 14.224 ± 0.002 Å
• c: 7.676 ± 0.001 Å
• α: 90°
• β: 97.791 ± 0.002°
• γ: 90°
• Cell volume: 657.38 ± 0.17 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes