Information card for entry 2235829

Structure parameters

• Chemical name: 2-(2-Methoxyphenyl)-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione
• Formula: C15 H11 N O3
• Calculated formula: C15 H11 N O3
• SMILES: O=C1N(C(=O)c2c1cccc2)c1c(OC)cccc1
• Title of publication: 2-(2-Methoxyphenyl)-1<i>H</i>-isoindole-1,3(2<i>H</i>)-dione
• Authors of publication: Tahir, M. Nawaz; Sirajuddin, Muhammad; Ali, Saqib; Munawar, Khurram Shahzad
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2589
• a: 11.5768 ± 0.0006 Å
• b: 7.3222 ± 0.0005 Å
• c: 29.2849 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2482.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes