Information card for entry 2228262

Structure parameters

• Chemical name: 2-(5,6-Dibromo-7-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2-yl)phenol
• Formula: C13 H9 Br2 N3 O
• Calculated formula: C13 H9 Br2 N3 O
• SMILES: Brc1c(c2nc([nH]c2nc1Br)c1c(O)cccc1)C
• Title of publication: 2-(5,6-Dibromo-7-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2-yl)phenol
• Authors of publication: Wang, Haixia
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3132
• a: 13.181 ± 0.005 Å
• b: 8.494 ± 0.003 Å
• c: 22.692 ± 0.008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2540.6 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0624
• Residual factor for significantly intense reflections: 0.0428
• Weighted residual factors for significantly intense reflections: 0.1242
• Weighted residual factors for all reflections included in the refinement: 0.1383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes