Information card for entry 2238153

Structure parameters

• Chemical name: 6-Bromo-1,3-bis[(1,3-dioxolan-2-yl)methyl]-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2(3<i>H</i>)-one
• Formula: C14 H16 Br N3 O5
• Calculated formula: C14 H16 Br N3 O5
• SMILES: Brc1cnc2c(c1)N(CC1OCCO1)C(=O)N2CC1OCCO1
• Title of publication: 6-Bromo-1,3-bis[(1,3-dioxolan-2-yl)methyl]-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: 7
• Pages of publication: o1029 - o1030
• a: 5.1144 ± 0.0001 Å
• b: 17.8029 ± 0.0004 Å
• c: 16.5365 ± 0.0005 Å
• α: 90°
• β: 97.009 ± 0.002°
• γ: 90°
• Cell volume: 1494.42 ± 0.06 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0508
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes