Information card for entry 2010628

Structure parameters

• Chemical name: 4-cyano-N-(4-methoxybenzylidene)phenylamine N-oxide
• Formula: C15 H12 N2 O2
• Calculated formula: C15 H12 N2 O2
• SMILES: N(=O)(=Cc1ccc(OC)cc1)c1ccc(cc1)C#N
• Title of publication: <i>N</i>-(4-Cyanophenyl)-α-(4-methoxyphenyl)nitrone
• Authors of publication: Kang, Jun-Gill; Hong, Jung-Pyo; Suh, Il-Hwan
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: 231 - 232
• a: 7.5821 ± 0.0016 Å
• b: 7.613 ± 0.002 Å
• c: 22.27 ± 0.003 Å
• α: 99.469 ± 0.016°
• β: 96.999 ± 0.012°
• γ: 94.79 ± 0.02°
• Cell volume: 1251.5 ± 0.5 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.103
• Residual factor for significantly intense reflections: 0.056
• Weighted residual factors for all reflections included in the refinement: 0.177
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes