Information card for entry 2211171

Structure parameters

• Common name: 4,5-Dimethoxy-N-methylphthalimide
• Chemical name: 5,6-Dimethoxy-2-methylisoindole-1,3-dione
• Formula: C11 H11 N O4
• Calculated formula: C11 H11 N O4
• SMILES: O=C1N(C(=O)c2cc(OC)c(OC)cc12)C
• Title of publication: 5,6-Dimethoxy-2-methylisoindole-1,3-dione
• Authors of publication: Warzecha, Klaus-Dieter; Neudörfl, Jörg; Griesbeck, Axel G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o4919 - o4921
• a: 7.3142 ± 0.0005 Å
• b: 8.3134 ± 0.0011 Å
• c: 9.7468 ± 0.0016 Å
• α: 96.266 ± 0.004°
• β: 108.402 ± 0.006°
• γ: 114.087 ± 0.006°
• Cell volume: 493.64 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0905
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes