Information card for entry 2211389

Structure parameters

• Common name: N-(4-Methoxybenzyl)phthalimide
• Chemical name: 2-(4-Methoxybenzyl)isoindoline-1,3-dione
• Formula: C16 H13 N O3
• Calculated formula: C16 H13 N O3
• SMILES: C1(=O)c2c(C(=O)N1Cc1ccc(cc1)OC)cccc2
• Title of publication: <i>N</i>-(4-Methoxybenzyl)phthalimide: ribbons of alternating <i>R</i>(16) and <i>R</i>(22) ring 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: 12
• Pages of publication: o5450 - o5452
• a: 10.1225 ± 0.0004 Å
• b: 15.8036 ± 0.0006 Å
• c: 8.2249 ± 0.0003 Å
• α: 90°
• β: 99.562 ± 0.001°
• γ: 90°
• Cell volume: 1297.47 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0833
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.0831
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes