Information card for entry 2008155

Structure parameters

• Common name: (Z)-3-(p-methoxy)benzylideneisoindolin-1-one
• Chemical name: (Z)-3-(p-methoxy)benzylideneisoindolin-1-one
• Formula: C16 H13 N O2
• Calculated formula: C16 H13 N O2
• SMILES: N1C(=O)c2c(cccc2)C/1=C/c1ccc(OC)cc1
• Title of publication: Two (<i>Z</i>)-3-aryl(alkyl)ideneisoindolin-1-ones
• Authors of publication: Kundu, Nitya G.; Khan, M. Wahab; Guha, Subhadra; Mukherjee, Alok K.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 2
• Pages of publication: 239 - 241
• a: 13.13 ± 0.009 Å
• b: 5.149 ± 0.002 Å
• c: 18.166 ± 0.003 Å
• α: 90°
• β: 90.92 ± 0.03°
• γ: 90°
• Cell volume: 1228 ± 1 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: 0.057
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for all reflections: 0.128
• Weighted residual factors for significantly intense reflections: 0.121
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.108
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No