Information card for entry 2238508

Structure parameters

• Chemical name: 1-Allyl-3-benzyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one
• Formula: C17 H16 N2 O
• Calculated formula: C17 H16 N2 O
• SMILES: C=CCN1C(=O)N(c2c1cccc2)Cc1ccccc1
• Title of publication: 1-Allyl-3-benzyl-1<i>H</i>-benzimidazol-2(3<i>H</i>)-one
• Authors of publication: Kandri Rodi, Youssef; Haoudi, Amal; Capet, Frédéric; Mazzah, Ahmed; Essassi, El Mokhtar; El Ammari, Lahcen
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: o1477 - o1478
• a: 9.0667 ± 0.0002 Å
• b: 9.3922 ± 0.0002 Å
• c: 9.6486 ± 0.0002 Å
• α: 94.218 ± 0.001°
• β: 113.543 ± 0.001°
• γ: 106.265 ± 0.001°
• Cell volume: 706.87 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0657
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1271
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes