Information card for entry 2225659

Structure parameters

• Chemical name: 4-Benzyl-6-bromo-2-(4-methoxyphenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine monohydrate
• Formula: C20 H18 Br N3 O2
• Calculated formula: C20 H18 Br N3 O2
• SMILES: Brc1cc2nc(nc2n(c1)Cc1ccccc1)c1ccc(OC)cc1.O
• Title of publication: 4-Benzyl-6-bromo-2-(4-methoxyphenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine monohydrate
• Authors of publication: Ouzidan, Y.; Kandri Rodi, Y.; Obbade, S.; 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: o947
• a: 10.5924 ± 0.0002 Å
• b: 5.4544 ± 0.0001 Å
• c: 31.7444 ± 0.0007 Å
• α: 90°
• β: 100.292 ± 0.001°
• γ: 90°
• Cell volume: 1804.53 ± 0.06 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: 0.0561
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0894
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes