Information card for entry 1546671

Structure parameters

• Chemical name: 6-Bromo-2-(4-methoxyphenyl)-3-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine
• Formula: C14 H12 Br N3 O
• Calculated formula: C14 H12 Br N3 O
• SMILES: Brc1cnc2n(c(nc2c1)c1ccc(OC)cc1)C
• Title of publication: 6-Bromo-2-(4-methoxyphenyl)-3-methyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine
• Authors of publication: Bourichi, Selma; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; El Hadrami, El Mestafa; Essassi, El Mokhtar
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 7
• Pages of publication: x171071
• a: 14.8643 ± 0.0006 Å
• b: 7.6795 ± 0.0004 Å
• c: 12.069 ± 0.0005 Å
• α: 90°
• β: 108.465 ± 0.004°
• γ: 90°
• Cell volume: 1306.75 ± 0.11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0509
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0972
• Weighted residual factors for all reflections included in the refinement: 0.1072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes