Information card for entry 2102595

Structure parameters

• Chemical name: N-(4-methoxybenzylidene)aniline
• Formula: C14 H13 N O
• Calculated formula: C14 H13 N O
• SMILES: N(=C\c1ccc(OC)cc1)/c1ccccc1
• 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: 10.0666 ± 0.0013 Å
• b: 12.6374 ± 0.0017 Å
• c: 17.732 ± 0.002 Å
• α: 90°
• β: 95.226 ± 0.003°
• γ: 90°
• Cell volume: 2246.4 ± 0.5 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0546
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.1176
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes