Information card for entry 2231066

Structure parameters

• Chemical name: <i>N</i>-(2,4-Dinitrophenyl)-1,3-dimethoxyisoindolin-2-amine
• Formula: C16 H16 N4 O6
• Calculated formula: C16 H16 N4 O6
• SMILES: c1cccc2c1[C@H](N([C@H]2OC)Nc1c(cc(cc1)N(=O)=O)N(=O)=O)OC
• Title of publication: <i>N</i>-(2,4-Dinitrophenyl)-1,3-dimethoxyisoindolin-2-amine
• Authors of publication: Du, Na-Na; Xu, Hua-Jie; Sheng, Liang-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: o1970
• a: 7.727 ± 0.004 Å
• b: 10.244 ± 0.005 Å
• c: 11.326 ± 0.006 Å
• α: 86.076 ± 0.009°
• β: 77.705 ± 0.008°
• γ: 70.794 ± 0.008°
• Cell volume: 827.2 ± 0.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0996
• Residual factor for significantly intense reflections: 0.0669
• Weighted residual factors for significantly intense reflections: 0.1799
• Weighted residual factors for all reflections included in the refinement: 0.225
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes