Information card for entry 2204795

Structure parameters

• Chemical name: 4-(1,3-dioxoisoindolin-2-yl)benzaldehyde
• Formula: C15 H9 N O3
• Calculated formula: C15 H9 N O3
• SMILES: O=C1N(C(=O)c2c1cccc2)c1ccc(cc1)C=O
• Title of publication: 4-(1,3-Dioxoisoindolin-2-yl)benzaldehyde
• Authors of publication: Liu, Xin-Gang; Feng, Ya-Qing; Wu, Peng; Chen, Xue; Li, Fei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 12
• Pages of publication: o2293 - o2294
• a: 7.646 ± 0.003 Å
• b: 11.07 ± 0.004 Å
• c: 13.815 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1169.3 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0591
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for all reflections included in the refinement: 0.0915
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes