Information card for entry 2210963

Structure parameters

• Common name: N-Isobutylphthalimide
• Chemical name: 2-Isobutylisoindoline-1,3-dione
• Formula: C12 H13 N O2
• Calculated formula: C12 H13 N O2
• SMILES: C1(=O)c2c(C(=O)N1CC(C)C)cccc2
• Title of publication: <i>N</i>-Isobutylphthalimide: unidimensional zigzag ribbons of <i>R</i>(10) 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: o4858 - o4859
• a: 5.7583 ± 0.0002 Å
• b: 22.1255 ± 0.0007 Å
• c: 8.1214 ± 0.0003 Å
• α: 90°
• β: 96.741 ± 0.002°
• γ: 90°
• Cell volume: 1027.56 ± 0.06 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes