Information card for entry 2228417

Structure parameters

• Common name: <i>N</i>-Crotylphthalimide
• Chemical name: 2-[(<i>E</i>)-but-2-en-1-yl]isoindoline-1,3-dione
• Formula: C12 H11 N O2
• Calculated formula: C12 H11 N O2
• SMILES: C/C=C/CN1C(=O)c2c(C1=O)cccc2
• Title of publication: <i>N</i>-Crotylphthalimide
• Authors of publication: Flores-Alamo, Marcos; Romero-Quiroz, María del Carmen; Morgado, Jorge
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 12
• Pages of publication: o3209
• a: 8.188 ± 0.0004 Å
• b: 12.083 ± 0.0005 Å
• c: 10.808 ± 0.0005 Å
• α: 90°
• β: 110.431 ± 0.004°
• γ: 90°
• Cell volume: 1002.03 ± 0.08 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 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: 0.0377
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0771
• Weighted residual factors for all reflections included in the refinement: 0.0796
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes