Information card for entry 2237238

Structure parameters

• Chemical name: 1-(4-Methylbenzyl)-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one
• Formula: C15 H14 N2 O
• Calculated formula: C15 H14 N2 O
• SMILES: O=C1Nc2c(N1Cc1ccc(cc1)C)cccc2
• Title of publication: 1-(4-Methylbenzyl)-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one
• Authors of publication: Belaziz, Dounia; Kandri Rodi, Youssef; Ouazzani Chahdi, Fouad; Essassi, El Mokhtar; Saadi, Mohamed; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 1
• Pages of publication: o122
• a: 12.5585 ± 0.0005 Å
• b: 5.7181 ± 0.0002 Å
• c: 17.4153 ± 0.0007 Å
• α: 90°
• β: 95.277 ± 0.002°
• γ: 90°
• Cell volume: 1245.31 ± 0.08 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0781
• Residual factor for significantly intense reflections: 0.0444
• Weighted residual factors for significantly intense reflections: 0.106
• Weighted residual factors for all reflections included in the refinement: 0.1219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes