Information card for entry 2226815

Structure parameters

• Chemical name: 6-Bromo-1,3-dimethyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2(3<i>H</i>)-one
• Formula: C8 H8 Br N3 O
• Calculated formula: C8 H8 Br N3 O
• SMILES: Cn1c2cc(Br)cnc2n(c1=O)C
• Title of publication: 6-Bromo-1,3-dimethyl-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2(3<i>H</i>)-one
• Authors of publication: Dahmani, Siham; 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: 8
• Pages of publication: o1904
• a: 21.7981 ± 0.0004 Å
• b: 3.9929 ± 0.0001 Å
• c: 20.6636 ± 0.0003 Å
• α: 90°
• β: 95.398 ± 0.001°
• γ: 90°
• Cell volume: 1790.53 ± 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: 0.0613
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0744
• Weighted residual factors for all reflections included in the refinement: 0.0855
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes