Information card for entry 2102593

Structure parameters

• Chemical name: N-(4-nitrobenzylidene)-4-methylaniline
• Formula: C14 H12 N2 O2
• Calculated formula: C14 H12 N2 O2
• 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: 6.961 ± 0.0004 Å
• b: 12.3496 ± 0.0007 Å
• c: 14.3296 ± 0.0008 Å
• α: 73.168 ± 0.001°
• β: 82.719 ± 0.001°
• γ: 85.061 ± 0.001°
• Cell volume: 1167.99 ± 0.11 ų
• Cell temperature: 90 K
• Ambient diffraction temperature: 90 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: 0.0411
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1066
• Weighted residual factors for all reflections included in the refinement: 0.1105
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes