Information card for entry 2105539

Structure parameters

• Common name: N-anilinophthalimide (orthorhombic)
• Chemical name: 1H-Isoindole-1,3-(2H)-dione, 2-aminophenyl (please check)
• Formula: C14 H10 N2 O2
• Calculated formula: C14 H10 N2 O2
• SMILES: O=C1N(Nc2ccccc2)C(=O)c2c1cccc2
• Title of publication: Structural, Thermodynamic and Kinetic (Hysteresis) Aspects of the Enantiotropic First-Order Phase Transformations of <i>N</i>-Anilinophthalimide and <i>N</i>-(<i>N</i>'-Methylanilino)phthalimide
• Authors of publication: Botoshansky, M.; Ellern, A.; Gasper, N.; Henck, J.-O.; Herbstein, F. H.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 277 - 290
• a: 19.655 ± 0.006 Å
• b: 10.677 ± 0.003 Å
• c: 5.503 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1154.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.084
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections: 0.12
• Weighted residual factors for significantly intense reflections: 0.1051
• Goodness-of-fit parameter for all reflections: 1.084
• Goodness-of-fit parameter for significantly intense reflections: 1.203
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No