Information card for entry 2235865

Structure parameters

• Chemical name: <i>N</i>-[(<i>E</i>)-4-Fluorobenzylidene]-3,4-dimethylaniline
• Formula: C15 H14 F N
• Calculated formula: C15 H14 F N
• SMILES: N(=C\c1ccc(F)cc1)/c1cc(c(C)cc1)C
• Title of publication: <i>N</i>-[(<i>E</i>)-4-Fluorobenzylidene]-3,4-dimethylaniline
• Authors of publication: Jin, Yue-Bao; Chang, Yong-Kang; Zhang, Ying; Lei, Ke-Wei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 8
• Pages of publication: o2415
• a: 7.7487 ± 0.0003 Å
• b: 11.3404 ± 0.0003 Å
• c: 14.2969 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1256.32 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0965
• Weighted residual factors for all reflections included in the refinement: 0.103
• 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: No
• Has Fobs: Yes