Information card for entry 2239346

Structure parameters

• Chemical name: 1-(2,3,4,5,6-Pentamethylbenzyl)-2-(pyridin-2-yl)-1<i>H</i>-benzimidazole
• Formula: C24 H25 N3
• Calculated formula: C24 H25 N3
• SMILES: Cc1c(Cn2c(nc3c2cccc3)c2ccccn2)c(C)c(c(c1C)C)C
• Title of publication: 1-(2,3,4,5,6-Pentamethylbenzyl)-2-(pyridin-2-yl)-1<i>H</i>-benzimidazole
• Authors of publication: Anĝay, Fırat; Çelik, Ömer; Barlık, Orhan; Ulusoy, Mahmut
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 5
• Pages of publication: o563 - o564
• a: 5.347 ± 0.0003 Å
• b: 21.0622 ± 0.0012 Å
• c: 17.0379 ± 0.0009 Å
• α: 90°
• β: 97.699 ± 0.003°
• γ: 90°
• Cell volume: 1901.5 ± 0.18 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 3
• 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: 0.0636
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1499
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes