Information card for entry 2216825

Structure parameters

• Chemical name: 4-[2-(Dibenzylaminomethyl)-1H-benzimidazol-1-ylmethyl]benzonitrile
• Formula: C30 H26 N4
• Calculated formula: C30 H26 N4
• SMILES: c1ccc(cc1)CN(Cc1ccccc1)Cc1nc2c(cccc2)n1Cc1ccc(cc1)C#N
• Title of publication: 4-[2-(Dibenzylaminomethyl)-1<i>H</i>-benzimidazol-1-ylmethyl]benzonitrile
• Authors of publication: Guang-Ju Ping; Ying-Ying Liu; Ting-Ting Han; Jian-Fang Ma
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: o4508 - o4508
• a: 15.364 ± 0.001 Å
• b: 17.006 ± 0.001 Å
• c: 18.908 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4940.3 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 3
• 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: 0.0666
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1197
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes