Information card for entry 2214407

Structure parameters

• Chemical name: 2-Fluoro-N-[(E)-1-(6-methoxy-2-naphthyl)methylidene]-5-(trifluoromethyl)aniline
• Formula: C19 H13 F4 N O
• Calculated formula: C19 H13 F4 N O
• SMILES: COc1ccc2c(c1)ccc(c2)/C=N/c1cc(ccc1F)C(F)(F)F
• Title of publication: 2-Fluoro-<i>N</i>-[(<i>E</i>)-1-(6-methoxy-2-naphthyl)methylidene]-5-(trifluoromethyl)aniline
• Authors of publication: Guo-Bing, Yan; Liang-Gui, Wang; Chun-Niu, Zhang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: o3201 - o3201
• a: 14.815 ± 0.009 Å
• b: 6.192 ± 0.004 Å
• c: 17.989 ± 0.011 Å
• α: 90°
• β: 106.127 ± 0.011°
• γ: 90°
• Cell volume: 1585.3 ± 1.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1055
• Residual factor for significantly intense reflections: 0.0961
• Weighted residual factors for significantly intense reflections: 0.2003
• Weighted residual factors for all reflections included in the refinement: 0.2062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.148
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes