Information card for entry 2233360

Structure parameters

• Chemical name: Diethyl 2-{[2-(trifluoromethyl)anilino]methylidene}propanedioate
• Formula: C15 H16 F3 N O4
• Calculated formula: C15 H16 F3 N O4
• SMILES: FC(F)(F)c1c(NC=C(C(=O)OCC)C(=O)OCC)cccc1
• Title of publication: Diethyl 2-{[2-(trifluoromethyl)anilino]methylidene}propanedioate
• Authors of publication: Garudachari, B.; Isloor, Arun M.; Satyanarayan, M. N.; Gerber, Thomas; Hosten, Eric; Betz, Richard
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 2
• Pages of publication: o514 - o515
• a: 7.808 ± 0.0002 Å
• b: 10.1485 ± 0.0003 Å
• c: 10.5265 ± 0.0003 Å
• α: 95.193 ± 0.001°
• β: 109.183 ± 0.001°
• γ: 99.405 ± 0.001°
• Cell volume: 767.85 ± 0.04 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1212
• Weighted residual factors for all reflections included in the refinement: 0.1283
• 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