Synthesis and Single-crystal X-ray Studies of (E)-ethyl 2-fluoro-2-(3-oxoisobenzofuran-1 (3H)-ylidene) Acetate

2013 
The title compound (E)-ethyl 2-fluoro-2-(3-oxoisobenzofuran-1(3H)-ylidene) acetate was synthesized as an unexpected product by the reaction of phthalyl dichloride with bis-silylenol ether, which is not in accordance with our previous studies. The title compound was characterized by single-crystal X-ray diffraction, 1H NMR, 13C NMR, 19F NMR, GCMS, HRMS and IR. The crystal (C12H9FO4, Mr = 236.19) belongs to the monoclinic system, space group P21/c, a = 19.1609(8), b = 7.9831(3), c = 13.7715(6) , V = 2106.13(15) 3, Z = 8, Dx = 1.490 Mg m-3, MoKα radiation, λ = 0.71073, μ = 0.12 mm-1, F(000) = 976, the final R = 0.025 and wR = 0.1300 for 4505 observed reflections with I > 2σ(I).
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