Information card for entry 2211601

Structure parameters

• Common name: N-allylphthalimide
• Chemical name: 2-allylisoindoline-1,3-dione
• Formula: C11 H9 N O2
• Calculated formula: C11 H9 N O2
• SMILES: C1(=O)c2c(C(=O)N1CC=C)cccc2
• Title of publication: <i>N</i>-Allylphthalimide: parallel ribbons of <i>R</i>(10) motifs crosslinked by C~vinyl~—H···O bonds
• 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: o5445 - o5447
• a: 9.3914 ± 0.0003 Å
• b: 14.1284 ± 0.0005 Å
• c: 7.1083 ± 0.0002 Å
• α: 90°
• β: 106.094 ± 0.001°
• γ: 90°
• Cell volume: 906.2 ± 0.05 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: 0.0665
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.0853
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes