Information card for entry 2231616

Structure parameters

• Chemical name: 3-{1-[2-(2-Chlorophenyl)hydrazinylidene]-2,2,2-trifluoroethyl}- 7-diethylamino-2<i>H</i>-chromen-2-one
• Formula: C21 H19 Cl F3 N3 O2
• Calculated formula: C21 H19 Cl F3 N3 O2
• SMILES: c1(ccc2cc(c(=O)oc2c1)C(=N\Nc1c(cccc1)Cl)/C(F)(F)F)N(CC)CC
• Title of publication: 3-{1-[2-(2-Chlorophenyl)hydrazinylidene]-2,2,2-trifluoroethyl}-7-diethylamino-2<i>H</i>-chromen-2-one
• Authors of publication: Chen, Hao; Cai, Li; Yu, Chaochao; Li, Hongqi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: o2344
• a: 7.94 ± 0.006 Å
• b: 12.602 ± 0.009 Å
• c: 20.233 ± 0.015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2025 ± 3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0387
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes