Information card for entry 2012460

Structure parameters

• Chemical name: Phthalimide [1H-Isoindole-1,3(2H)-dione]
• Formula: C8 H5 N O2
• Calculated formula: C8 H5 N O2
• SMILES: O=C1NC(=O)c2ccccc12
• Title of publication: Phthalimide at 120K: perforated molecular ribbons containing three different ring motifs
• Authors of publication: Zakaria, Choudhury M.; Low, John N.; Glidewell, Christopher
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: o9 - o10
• a: 3.7303 ± 0.0002 Å
• b: 7.6638 ± 0.0004 Å
• c: 22.6435 ± 0.0013 Å
• α: 90°
• β: 90.369 ± 0.002°
• γ: 90°
• Cell volume: 647.33 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0705
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.1027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No