Information card for entry 2237821

Structure parameters

• Chemical name: 3-Benzyl-6-bromo-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2(3<i>H</i>)-one
• Formula: C13 H10 Br N3 O
• Calculated formula: C13 H10 Br N3 O
• SMILES: Brc1cnc2c(c1)NC(=O)N2Cc1ccccc1
• Title of publication: 3-Benzyl-6-bromo-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2(3<i>H</i>)-one
• Authors of publication: Kandri Rodi, Youssef; Haoudi, Amal; Capet, Frédéric; Mazzah, Ahmed; Essassi, El Mokhtar; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 6
• Pages of publication: o962
• a: 4.2399 ± 0.0002 Å
• b: 10.4463 ± 0.0004 Å
• c: 14.5144 ± 0.0006 Å
• α: 107.611 ± 0.002°
• β: 90.628 ± 0.003°
• γ: 99.784 ± 0.003°
• Cell volume: 602.49 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.048
• Residual factor for significantly intense reflections: 0.0326
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0852
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes