Information card for entry 1543348

Structure parameters

• Chemical name: 2-Amino-3-((<i>E</i>)-{[3-(trifluoromethyl)phenyl]imino}methyl)-4<i>H</i>-chromen-4-one
• Formula: C17 H11 F3 N2 O2
• Calculated formula: C17 H11 F3 N2 O2
• SMILES: FC(F)(F)c1cccc(/N=C/c2c(oc3ccccc3c2=O)N)c1
• Title of publication: 2-Amino-3-((<i>E</i>)-{[3-(trifluoromethyl)phenyl]imino}methyl)-4<i>H</i>-chromen-4-one
• Authors of publication: Atalay, Şehriman; Gerçeker, Semra; Meral, Seher; Alaman Ağar, Ayşen
• Journal of publication: IUCrData
• Year of publication: 2016
• Journal volume: 1
• Journal issue: 5
• Pages of publication: x160797
• a: 7.1355 ± 0.0007 Å
• b: 7.4786 ± 0.0008 Å
• c: 14.8254 ± 0.0018 Å
• α: 99.626 ± 0.009°
• β: 91.602 ± 0.009°
• γ: 105.02 ± 0.008°
• Cell volume: 751.23 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0938
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1241
• Weighted residual factors for all reflections included in the refinement: 0.1405
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes