Information card for entry 2206781

Structure parameters

• Chemical name: 1-Benzyl-2-[2-(benzyloxy)phenyl]-1H-benzimidazole
• Formula: C27 H22 N2 O
• Calculated formula: C27 H22 N2 O
• SMILES: O(c1ccccc1c1n(c2c(n1)cccc2)Cc1ccccc1)Cc1ccccc1
• Title of publication: 1-Benzyl-2-[2-(benzyloxy)phenyl]-1<i>H</i>-benzimidazole
• Authors of publication: Tong, Yi-Ping
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 9
• Pages of publication: o2978 - o2980
• a: 10.2724 ± 0.0009 Å
• b: 15.839 ± 0.0013 Å
• c: 12.9779 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2111.6 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0542
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes