Information card for entry 2238310

Structure parameters

• Chemical name: 1-(2,6-Diisopropylphenyl)-1<i>H</i>-benzimidazole
• Formula: C19 H22 N2
• Calculated formula: C19 H22 N2
• SMILES: CC(c1cccc(c1n1cnc2c1cccc2)C(C)C)C
• Title of publication: 1-(2,6-Diisopropylphenyl)-1<i>H</i>-benzimidazole
• Authors of publication: Lai, Sha; Chen, Yong; Li, Yan; Shen, Yonggang; Wu, Hongwei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1330
• a: 6.6471 ± 0.0008 Å
• b: 14.1216 ± 0.0018 Å
• c: 17.285 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1622.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0422
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.0879
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes