Information card for entry 2102596

Structure parameters

• Chemical name: N-(4-methoxybenzylidene)-4-methylaniline
• Formula: C15 H15 N O
• Calculated formula: C15 H15 N O
• SMILES: COc1ccc(cc1)/C=N/c1ccc(cc1)C
• Title of publication: Torsional vibration and central bond length of <i>N</i>-benzylideneanilines
• Authors of publication: Harada, Jun; Harakawa, Mayuko; Ogawa, Keiichiro
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 5
• Pages of publication: 578 - 588
• a: 12.2403 ± 0.0008 Å
• b: 13.8088 ± 0.0009 Å
• c: 7.4287 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1255.63 ± 0.14 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 4
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1415
• Weighted residual factors for all reflections included in the refinement: 0.1614
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes