Information card for entry 1543319

Structure parameters

• Chemical name: Ethyl 2-(6-bromo-2-phenyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-1-yl)acetate
• Formula: C16 H14 Br N3 O2
• Calculated formula: C16 H14 Br N3 O2
• SMILES: Brc1cc2n(c(nc2nc1)c1ccccc1)CC(=O)OCC
• Title of publication: Ethyl 2-(6-bromo-2-phenyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-1-yl)acetate
• Authors of publication: Hjouji, Mohammed Yassin; Kandri Rodi, Youssef; Mague, Joel T.; Ouzidan, Younes; Essassi, El Mokhtar; Zouihri, Hafid
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 5
• Pages of publication: x160771
• a: 14.6923 ± 0.0008 Å
• b: 6.1988 ± 0.0003 Å
• c: 16.2254 ± 0.0008 Å
• α: 90°
• β: 92.911 ± 0.001°
• γ: 90°
• Cell volume: 1475.82 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0414
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes