Information card for entry 2220323

Structure parameters

• Chemical name: tert-Butyl N-(5-bromo-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2-ylmethyl)carbamate
• Formula: C12 H15 Br N4 O2
• Calculated formula: C12 H15 Br N4 O2
• SMILES: Brc1cnc2[nH]c(nc2c1)CNC(=O)OC(C)(C)C
• Title of publication: <i>tert</i>-Butyl <i>N</i>-(5-bromo-1<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-2-ylmethyl)carbamate
• Authors of publication: Yin, Ling; Jia, Jiong; Zhao, Gui-Long; Wang, Jian-Wu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 12
• Pages of publication: o2262
• a: 10.74 ± 0.0011 Å
• b: 9.6717 ± 0.0009 Å
• c: 28.215 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2930.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0691
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.1022
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes