Information card for entry 7245763

Structure parameters

• Formula: C22 H20 Br N3
• Calculated formula: C22 H20 Br N3
• SMILES: Brc1ccc(cc1)c1nc2n(c1Cc1ccc(N(C)C)cc1)cccc2
• Title of publication: Switchable electrooxidative N-methyl amines: access to C3-aminomethylated and C3-arylmethylated imidazo[1,2-a] pyridines
• Authors of publication: Li, Sifeng; Wang, Taimin; Li, Xingchen; Fang, Lijing; Zhai, Hongbin; Cheng, Bin
• Journal of publication: Green Chemistry
• Year of publication: 2022
• Journal volume: 24
• Journal issue: 24
• Pages of publication: 9482 - 9488
• a: 6.3317 ± 0.0002 Å
• b: 10.0072 ± 0.0003 Å
• c: 29.5714 ± 0.0008 Å
• α: 90°
• β: 92.36 ± 0.002°
• γ: 90°
• Cell volume: 1872.13 ± 0.1 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 4
• 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: 0.0543
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No