Information card for entry 2219894

Structure parameters

• Chemical name: 1-(3-Chlorobenzyl)-5-iodoindoline-2,3-dione
• Formula: C15 H9 Cl I N O2
• Calculated formula: C15 H9 Cl I N O2
• SMILES: Ic1cc2C(=O)C(=O)N(c2cc1)Cc1cc(Cl)ccc1
• Title of publication: 1-(3-Chlorobenzyl)-5-iodoindoline-2,3-dione
• Authors of publication: Abid, Obaid-ur-Rahman; Qadeer, Ghulam; Rama, Nasim Hasan; Ruzicka, Ales
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 11
• Pages of publication: o2223
• a: 8.1241 ± 0.0006 Å
• b: 11.793 ± 0.0008 Å
• c: 14.7001 ± 0.0002 Å
• α: 90°
• β: 90.751 ± 0.003°
• γ: 90°
• Cell volume: 1408.26 ± 0.14 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• 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: 0.0544
• Residual factor for significantly intense reflections: 0.0387
• Weighted residual factors for significantly intense reflections: 0.0909
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes