Information card for entry 2211378

Structure parameters

• Chemical name: 2-Ethylisoindoline-1,3-dione
• Formula: C10 H9 N O2
• Calculated formula: C10 H9 N O2
• SMILES: O=C1N(C(=O)c2c1cccc2)CC
• Title of publication: 2-Ethylisoindoline-1,3-dione
• Authors of publication: Liang, Zu-Pei; Li, Jian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5439 - o5440
• a: 7.254 ± 0.006 Å
• b: 4.475 ± 0.004 Å
• c: 13.506 ± 0.01 Å
• α: 90°
• β: 98.774 ± 0.013°
• γ: 90°
• Cell volume: 433.3 ± 0.6 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 4
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0795
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes