Information card for entry 2225184

Structure parameters

• Chemical name: 3-Benzamido-1-benzoyl-1<i>H</i>-pyrrol-2(5<i>H</i>)-one
• Formula: C18 H14 N2 O3
• Calculated formula: C18 H14 N2 O3
• SMILES: N1(CC=C(NC(=O)c2ccccc2)C1=O)C(=O)c1ccccc1
• Title of publication: 3-Benzamido-1-benzoyl-1<i>H</i>-pyrrol-2(5<i>H</i>)-one
• Authors of publication: Kasunič, Marta; Verček, Bojan; Mušič, Irena; Golobič, Amalija
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 3
• Pages of publication: o687
• a: 20.966 ± 0.002 Å
• b: 5.8891 ± 0.0007 Å
• c: 12.329 ± 0.001 Å
• α: 90°
• β: 95.908 ± 0.008°
• γ: 90°
• Cell volume: 1514.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0972
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1318
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes