Information card for entry 2236201

Structure parameters

• Chemical name: 1-Allyl-1<i>H</i>-1,3-benzimidazol-2(3<i>H</i>)-one
• Formula: C10 H10 N2 O
• Calculated formula: C10 H10 N2 O
• SMILES: c12ccccc1N(CC=C)C(=O)N2
• Title of publication: 1-Allyl-1<i>H</i>-1,3-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: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: o3212
• a: 10.2749 ± 0.0005 Å
• b: 5.5787 ± 0.0003 Å
• c: 16.622 ± 0.0009 Å
• α: 90°
• β: 100.976 ± 0.004°
• γ: 90°
• Cell volume: 935.35 ± 0.09 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1054
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1031
• Weighted residual factors for all reflections included in the refinement: 0.1278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes