Information card for entry 2226231

Structure parameters

• Chemical name: 1-Isopropenyl-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: O=C1Nc2ccccc2N1C(=C)C
• Title of publication: 1-Isopropenyl-1<i>H</i>-1,3-benzimidazol-2(3<i>H</i>)-one
• Authors of publication: Saber, Asmaa; Zouihri, Hafid; Essassi, El Mokhtar; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: o1409
• a: 15.8724 ± 0.0002 Å
• b: 6.0971 ± 0.0001 Å
• c: 17.9313 ± 0.0003 Å
• α: 90°
• β: 90.961 ± 0.002°
• γ: 90°
• Cell volume: 1735.07 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0389
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes