【摘 要】
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The crystal and molecular structure of diethyl 1-(6-methyl-2-benzothiazoleamino)-2,4-dichlorophenylmethylphosphonate has been determined by X-ray diffraction me
【机 构】
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Institute and State Key Laboratory of Elemento-Organic Chemistry,Calculation Center
论文部分内容阅读
The crystal and molecular structure of diethyl 1-(6-methyl-2-benzothiazoleamino)-2,4-dichlorophenylmethylphosphonate has been determined by X-ray diffraction method. The crystal (C19H21Cl2N2O3PS) is monoclinic with space group P21/c, a=8.318(2), b=18.202(4), c=14.673(3)(A), β=92.51(3)°, μ=0.4749 mm-1, Z=4, Dx=1.375 g/cm3, F(000)=952, V=2219(1)(A)3, final R=0.059 and Rw=0.060 for 2038 observed reflections with I≥3σ(I). The X-ray analysis result shows that the magnetic nonequivalence of the two ethoxy groups of the title compound is caused by the shielding effect of the benzene ring in α-position.
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