Information card for entry 2202678

Structure parameters

• Chemical name: 2-Benzyl-5-(2,5-dioxo-2,5-dihydro-1H-pyrrol-1-yl)-2,3-dihydro- 1H-isoindole-1,3-dione
• Formula: C19 H12 N2 O4
• Calculated formula: C19 H12 N2 O4
• SMILES: O=C1N(C(=O)C=C1)c1ccc2C(=O)N(C(=O)c2c1)Cc1ccccc1
• Title of publication: 2-Benzyl-5-(2,5-dioxo-2,5-dihydro-1<i>H</i>-pyrrol-1-yl)-2,3-dihydro-1<i>H</i>-isoindole-1,3-dione
• Authors of publication: Shi, Da-Xin; Feng, Ya-Qing; Li, Xiao-Fang; Zhou, Li-shan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: o1068 - o1069
• a: 5.061 ± 0.002 Å
• b: 11.803 ± 0.004 Å
• c: 14.186 ± 0.005 Å
• α: 112.607 ± 0.006°
• β: 94.05 ± 0.006°
• γ: 95.755 ± 0.006°
• Cell volume: 772.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0549
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections included in the refinement: 0.1149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes