Information card for entry 2006933

Structure parameters

• Common name: N-Benzyl-3- Benzylidene Isoindolin-1- one
• Chemical name: N-Benzyl-3- Benzylidene Isoindolin-1- one
• Formula: C22 H17 N O
• Calculated formula: C22 H17 N O
• SMILES: O=C1N(Cc2ccccc2)C(=C/c2ccccc2)\c2c1cccc2
• Title of publication: <i>N</i>-Benzyl-3-benzylideneisoindolin-1-one
• Authors of publication: M. Wahab Khan; Subhadra Guha; Alok K. Mukherjee; Nitya G. Kundu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 1
• Pages of publication: 119 - 120
• a: 8.545 ± 0.001 Å
• b: 9.643 ± 0.001 Å
• c: 10.807 ± 0.001 Å
• α: 88.8 ± 0.01°
• β: 67.61 ± 0.01°
• γ: 82.98 ± 0.01°
• Cell volume: 816.87 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections: 0.1206
• Weighted residual factors for significantly intense reflections: 0.1184
• Goodness-of-fit parameter for all reflections: 1.112
• Goodness-of-fit parameter for significantly intense reflections: 1.137
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No