Information card for entry 2225656

Structure parameters

• Chemical name: 4-Benzyl-6-bromo-2-phenyl-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine
• Formula: C19 H14 Br N3
• Calculated formula: C19 H14 Br N3
• SMILES: Brc1cc2nc(nc2n(c1)Cc1ccccc1)c1ccccc1
• Title of publication: 4-Benzyl-6-bromo-2-phenyl-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine
• Authors of publication: Ouzidan, Y.; Obbade, S.; Capet, F.; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 4
• Pages of publication: o946
• a: 8.6613 ± 0.0006 Å
• b: 19.7631 ± 0.0013 Å
• c: 9.3683 ± 0.0006 Å
• α: 90°
• β: 99.647 ± 0.003°
• γ: 90°
• Cell volume: 1580.93 ± 0.18 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0487
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0867
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes