Information card for entry 2105541

Structure parameters

• Common name: N-(N'-Methylanilino)-phthalimide, monoclinic
• Chemical name: 1H-Isoindole-1,3-(2H)-dione, 2-(N-methyl-N-phenyl)amino (please check)
• Formula: C15 H12 N2 O2
• Calculated formula: C15 H12 N2 O2
• SMILES: CN(N1C(=O)c2c(C1=O)cccc2)c1ccccc1
• 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: 7.752 ± 0.003 Å
• b: 14.567 ± 0.004 Å
• c: 11.118 ± 0.003 Å
• α: 90°
• β: 92.25 ± 0.02°
• γ: 90°
• Cell volume: 1254.5 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0734
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.1495
• Weighted residual factors for significantly intense reflections: 0.1294
• Goodness-of-fit parameter for all reflections: 1.066
• Goodness-of-fit parameter for significantly intense reflections: 1.216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No