Information card for entry 2210973

Structure parameters

• Common name: N-(2-Methoxybenzyl)phthalimide
• Chemical name: 2-(2-methoxybenzyl)isoindoline-1,3-dione
• Formula: C16 H13 N O3
• Calculated formula: C16 H13 N O3
• SMILES: C1(=O)c2c(C(=O)N1Cc1c(cccc1)OC)cccc2
• Title of publication: <i>N</i>-(2-Methoxybenzyl)phthalimide: a two-dimensional network of <i>C</i>(7) and <i>C</i>(9) chain motifs
• Authors of publication: Warzecha, Klaus-Dieter; Lex, Johann; Griesbeck, Axel G.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: o5271 - o5273
• a: 16.2809 ± 0.0014 Å
• b: 10.4277 ± 0.0007 Å
• c: 7.5585 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1283.22 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes