Information card for entry 2235480

Structure parameters

• Chemical name: 1-(2-Methoxyphenyl)-1<i>H</i>-pyrrole-2,5-dione
• Formula: C11 H9 N O3
• Calculated formula: C11 H9 N O3
• SMILES: O(c1c(N2C(=O)C=CC2=O)cccc1)C
• Title of publication: 1-(2-Methoxyphenyl)-1<i>H</i>-pyrrole-2,5-dione
• Authors of publication: Sirajuddin, Muhammad; Ali, Saqib; Tahir, M. Nawaz
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: o2282
• a: 12.7018 ± 0.0015 Å
• b: 10.2689 ± 0.0012 Å
• c: 7.4695 ± 0.0008 Å
• α: 90°
• β: 101.067 ± 0.007°
• γ: 90°
• Cell volume: 956.15 ± 0.19 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: 0.071
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0952
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes