Information card for entry 1546709

Structure parameters

• Chemical name: 4-Benzyl-6-bromo-2-(4-chlorophenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine
• Formula: C19 H13 Br Cl N3
• Calculated formula: C19 H13 Br Cl N3
• SMILES: Brc1cn(c2nc(nc2c1)c1ccc(Cl)cc1)Cc1ccccc1
• Title of publication: 4-Benzyl-6-bromo-2-(4-chlorophenyl)-4<i>H</i>-imidazo[4,5-<i>b</i>]pyridine
• Authors of publication: Bourichi, Selma; Kandri Rodi, Youssef; Jasinski, Jerry P.; Kaur, Manpreet; Ouzidan, Younes; Essassi, El Mokhtar
• Journal of publication: IUCrData
• Year of publication: 2017
• Journal volume: 2
• Journal issue: 6
• Pages of publication: x170899
• a: 8.7749 ± 0.0007 Å
• b: 9.9403 ± 0.0007 Å
• c: 10.4475 ± 0.0008 Å
• α: 76.03 ± 0.006°
• β: 66.511 ± 0.007°
• γ: 85.843 ± 0.006°
• Cell volume: 810.76 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0517
• Residual factor for significantly intense reflections: 0.0443
• Weighted residual factors for significantly intense reflections: 0.1162
• Weighted residual factors for all reflections included in the refinement: 0.1244
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes