Information card for entry 2232788

Structure parameters

• Chemical name: 1,3-Dibenzyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one
• Formula: C21 H18 N2 O
• Calculated formula: C21 H18 N2 O
• SMILES: O=C1N(Cc2ccccc2)c2c(N1Cc1ccccc1)cccc2
• Title of publication: 1,3-Dibenzyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one
• Authors of publication: Kandri Rodi, Youssef; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar; Luis, Santiago V.; Bolte, Michael; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3234
• a: 19.5983 ± 0.0007 Å
• b: 9.0882 ± 0.0002 Å
• c: 10.0473 ± 0.0003 Å
• α: 90°
• β: 115.593 ± 0.004°
• γ: 90°
• Cell volume: 1613.98 ± 0.1 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0979
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes