Information card for entry 2230852

Structure parameters

• Chemical name: 2-[(<i>E</i>)-(2,4-Dichlorobenzylidene)amino]isoindoline-1,3-dione
• Formula: C15 H8 Cl2 N2 O2
• Calculated formula: C15 H8 Cl2 N2 O2
• SMILES: Clc1cc(Cl)ccc1/C=N/N1C(=O)c2ccccc2C1=O
• Title of publication: 2-[(<i>E</i>)-(2,4-Dichlorobenzylidene)amino]isoindoline-1,3-dione
• Authors of publication: Asad, Mohammad; Oo, Chuan-Wei; Osman, Hasnah; Hemamalini, Madhukar; Fun, Hoong-Kun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: o1712
• a: 8.0387 ± 0.0008 Å
• b: 7.6981 ± 0.0008 Å
• c: 22.2686 ± 0.0019 Å
• α: 90°
• β: 101.828 ± 0.003°
• γ: 90°
• Cell volume: 1348.8 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.075
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.0985
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes