Information card for entry 7155346

Structure parameters

• Chemical name: (E)-N'-(2,2,2-Trifluoro-1-phenylethylidene)benzohydrazide
• Formula: C15 H11 F3 N2 O
• Calculated formula: C15 H11 F3 N2 O
• SMILES: FC(F)(F)/C(=N/NC(=O)c1ccccc1)c1ccccc1
• Title of publication: Phenyliodonium diacetate mediated carbotrifluoromethylation of N-acylhydrazones.
• Authors of publication: Zhang, Weigang; Su, Yingpeng; Chong, Siying; Wu, Lili; Cao, Guiyan; Huang, Danfeng; Wang, Ke-Hu; Hu, Yulai
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2016
• Journal volume: 14
• Journal issue: 47
• Pages of publication: 11162 - 11175
• a: 5.7064 ± 0.0005 Å
• b: 17.0772 ± 0.0013 Å
• c: 14.1572 ± 0.0009 Å
• α: 90°
• β: 94.665 ± 0.007°
• γ: 90°
• Cell volume: 1375.04 ± 0.18 ų
• Cell temperature: 293.69 ± 0.16 K
• Ambient diffraction temperature: 293.69 ± 0.16 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: 0.1181
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1527
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No