Information card for entry 2224005

Structure parameters

• Chemical name: 1-(4-Iodo-3-phenylisoquinolin-1-yl)pyrrolidine-2,5-dione
• Formula: C19 H13 I N2 O2
• Calculated formula: C19 H13 I N2 O2
• SMILES: Ic1c(c2ccccc2)nc(c2c1cccc2)N1C(=O)CCC1=O
• Title of publication: 1-(4-Iodo-3-phenylisoquinolin-1-yl)pyrrolidine-2,5-dione
• Authors of publication: Fu, Weijun; Zhu, Mei; Hong, Dongfeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 11
• Pages of publication: o2802
• a: 8.874 ± 0.003 Å
• b: 8.365 ± 0.003 Å
• c: 11.292 ± 0.004 Å
• α: 90°
• β: 100.494 ± 0.003°
• γ: 90°
• Cell volume: 824.2 ± 0.5 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.154
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes