Information card for entry 2010522

Structure parameters

• Common name: (Z)-N-(p-anisyl)-3-benzylidene isoindolin-1-one
• Chemical name: (Z)-N-(p-anisyl)-3-benzylidene isoindolin-1-one
• Formula: C22 H17 N O2
• Calculated formula: C22 H17 N O2
• SMILES: N1(c2ccc(OC)cc2)C(=O)c2ccccc2/C1=C/c1ccccc1
• Title of publication: Two (<i>Z</i>)-<i>N</i>-aryl-3-benzylideneisoindolin-1-ones
• Authors of publication: Mukherjee, Alok K.; Guha, Subhadra; Khan, M. Wahab; Kundu, Nitya G.; Helliwell, Madeleine
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 1
• Pages of publication: 85 - 87
• a: 8.577 ± 0.006 Å
• b: 10.542 ± 0.004 Å
• c: 18.272 ± 0.004 Å
• α: 90°
• β: 98.34 ± 0.04°
• γ: 90°
• Cell volume: 1634.7 ± 1.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0664
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections: 0.1097
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections: 1.027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No