Information card for entry 7058619

Structure parameters

• Common name: enamino ketone trifluoromethyl
• Chemical name: (Z)-4-((4-aminophenyl)amino)-1,1,1-trifluoro-4-phenylbut-3-en-2-one
• Formula: C16 H13 F3 N2 O
• Calculated formula: C16 H13 F3 N2 O
• Title of publication: Synthesis and photophysical, thermal and antimycobacterial properties of novel 6-amino-2-alkyl(aryl/heteroaryl)-4-(trifluoromethyl) quinolines
• Authors of publication: Kappenberg, Yuri G.; Ketzer, Alex; Stefanello, Felipe S.; Salbego, Paulo R. S.; Acunha, Thiago V.; Abbadi, Bruno L.; Bizarro, Cristiano V.; Basso, Luiz A.; Machado, Pablo; Martins, Marcos A. P.; Zanatta, Nilo; Iglesias, Bernardo A.; Bonacorso, Helio G.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 31
• Pages of publication: 12375
• a: 12.0703 ± 0.0009 Å
• b: 5.8282 ± 0.0004 Å
• c: 20.5755 ± 0.0014 Å
• α: 90°
• β: 100.792 ± 0.002°
• γ: 90°
• Cell volume: 1421.85 ± 0.17 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.083
• Residual factor for significantly intense reflections: 0.0585
• Weighted residual factors for significantly intense reflections: 0.1377
• Weighted residual factors for all reflections included in the refinement: 0.1505
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No