Information card for entry 2237307

Structure parameters

• Chemical name: 1-{(<i>Z</i>)-[2-Methoxy-5-(trifluoromethyl)anilino]methylidene}naphthalen- 2(1<i>H</i>)-one
• Formula: C19 H14 F3 N O2
• Calculated formula: C19 H14 F3 N O2
• SMILES: COc1ccc(cc1N/C=C1\C(=O)C=Cc2c1cccc2)C(F)(F)F
• Title of publication: 1-{(<i>Z</i>)-[2-Methoxy-5-(trifluoromethyl)anilino]methylidene}naphthalen-2(1<i>H</i>)-one
• Authors of publication: Kargılı, Hakan; Alaman Ağar, Ayşen; Alpaslan, Gökhan; Büyükgüngör, Orhan; Erdönmez, Ahmet
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 2
• Pages of publication: o163
• a: 16.3922 ± 0.001 Å
• b: 5.7201 ± 0.0002 Å
• c: 17.7632 ± 0.001 Å
• α: 90°
• β: 106.284 ± 0.005°
• γ: 90°
• Cell volume: 1598.75 ± 0.15 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.1122
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes