Information card for entry 2229619

Structure parameters

• Chemical name: 3-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-5-yl)methyl]-6-bromo-2-phenyl- 3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine
• Formula: C22 H17 Br N6
• Calculated formula: C22 H17 Br N6
• SMILES: Brc1cnc2c(c1)nc(n2Cc1cnnn1Cc1ccccc1)c1ccccc1
• Title of publication: 3-[(1-Benzyl-1<i>H</i>-1,2,3-triazol-5-yl)methyl]-6-bromo-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridine
• Authors of publication: Ouzidan, Younes; Kandri Rodi, Youssef; Fronczek, Frank R.; Venkatraman, Ramaiyer; Essassi, El Mokhtar; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: o890 - o891
• a: 41.122 ± 0.006 Å
• b: 5.8358 ± 0.001 Å
• c: 15.988 ± 0.003 Å
• α: 90°
• β: 93.922 ± 0.006°
• γ: 90°
• Cell volume: 3827.8 ± 1.1 ų
• Cell temperature: 93 ± 0.5 K
• Ambient diffraction temperature: 93 ± 0.5 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: 0.1264
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.109
• Goodness-of-fit parameter for all reflections included in the refinement: 0.96
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes