Information card for entry 2238333

Structure parameters

• Common name: 4-Fluoro-N-[3,4,5-trimethoxybenzylidene]aniline
• Chemical name: 4-Fluoro-<i>N</i>-[(<i>E</i>)-3,4,5-trimethoxybenzylidene]aniline
• Formula: C16 H16 F N O3
• Calculated formula: C16 H16 F N O3
• SMILES: COc1cc(/C=N/c2ccc(cc2)F)cc(c1OC)OC
• Title of publication: 4-Fluoro-<i>N</i>-[(<i>E</i>)-3,4,5-trimethoxybenzylidene]aniline
• Authors of publication: Balachandar, R. K.; Kalainathan, S.; Eappen, Shibu M.; Podder, Jiban
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 8
• Pages of publication: o1234
• a: 7.1147 ± 0.0009 Å
• b: 8.3841 ± 0.0009 Å
• c: 12.9217 ± 0.0013 Å
• α: 90°
• β: 105.266 ± 0.005°
• γ: 90°
• Cell volume: 743.59 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0613
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1126
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 0.996
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes