Information card for entry 2232952

Structure parameters

• Chemical name: (<i>E</i>)-2-[(2-Chlorobenzylidene)amino]isoindoline-1,3-dione
• Formula: C15 H9 Cl N2 O2
• Calculated formula: C15 H9 Cl N2 O2
• SMILES: Clc1c(cccc1)/C=N/N1C(=O)c2c(C1=O)cccc2
• Title of publication: (<i>E</i>)-2-[(2-Chlorobenzylidene)amino]isoindoline-1,3-dione
• Authors of publication: Xu, Hua-Jie; Jiang, Xue-Yue; Sheng, Liang-Quan; Liu, Zhao-Di
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: o3184
• a: 12.991 ± 0.008 Å
• b: 4.808 ± 0.003 Å
• c: 23.757 ± 0.011 Å
• α: 90°
• β: 120.6 ± 0.02°
• γ: 90°
• Cell volume: 1277.2 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0502
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.1042
• Goodness-of-fit parameter for all reflections included in the refinement: 1.099
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes