Information card for entry 2226387

Structure parameters

• Chemical name: 3-Benzyl-6-bromo-2-(2-furyl)-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine
• Formula: C17 H12 Br N3 O
• Calculated formula: C17 H12 Br N3 O
• SMILES: Brc1cnc2n(Cc3ccccc3)c(nc2c1)c1occc1
• Title of publication: 3-Benzyl-6-bromo-2-(2-furyl)-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine
• Authors of publication: Ouzidan, Younès; Rodi, Youssef Kandri; Zouihri, Hafid; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: o1874
• a: 15.8422 ± 0.0003 Å
• b: 5.4747 ± 0.0001 Å
• c: 18.4243 ± 0.0003 Å
• α: 90°
• β: 111.509 ± 0.001°
• γ: 90°
• Cell volume: 1486.68 ± 0.05 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: 0.0467
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.1096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes