Information card for entry 2230614

Structure parameters

• Chemical name: 6-Bromo-3-methyl-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine
• Formula: C13 H10 Br N3
• Calculated formula: C13 H10 Br N3
• SMILES: Brc1cnc2n(c(nc2c1)c1ccccc1)C
• Title of publication: 6-Bromo-3-methyl-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine
• Authors of publication: Ouzidan, Younes; Essassi, El Mokhtar; Luis, Santiago V.; Bolte, Michael; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1684
• a: 13.7138 ± 0.0004 Å
• b: 6.7088 ± 0.0002 Å
• c: 25.3217 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2329.68 ± 0.12 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.0479
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes