The 1H NMR spectrum of the title compound shows that the two hydrogen atoms at a-C are magnetic nonequivalence. To explain the nonequivalence phenomenon, the crystal and molecular structure of the title compound has b...The 1H NMR spectrum of the title compound shows that the two hydrogen atoms at a-C are magnetic nonequivalence. To explain the nonequivalence phenomenon, the crystal and molecular structure of the title compound has been determined by X-ray diffraction methed. The crystal (C27H26NO5PS) is monoclinic withspace group P21/c, a = 11. 310(4), b =20. 692(5), c =11. 826(4) A, β =112. 46(3)°， V = 2256(1) A3, Mr- 507. 55, Z = 4, Dx= 1. 319g/cm3, μ= 2. 179cm-1,F(000) =1064, R = 0. 054 and Rw= 0. 064 for 2405 renections with I≥>3δ(I). TheX-ray diffraction analysis reveals that the two hydrogen atoms at a-C are located at differeat magnetic environments, which can explain the nonequivalence phenomnon in 1HNMR spetrum.展开更多
文摘The 1H NMR spectrum of the title compound shows that the two hydrogen atoms at a-C are magnetic nonequivalence. To explain the nonequivalence phenomenon, the crystal and molecular structure of the title compound has been determined by X-ray diffraction methed. The crystal (C27H26NO5PS) is monoclinic withspace group P21/c, a = 11. 310(4), b =20. 692(5), c =11. 826(4) A, β =112. 46(3)°， V = 2256(1) A3, Mr- 507. 55, Z = 4, Dx= 1. 319g/cm3, μ= 2. 179cm-1,F(000) =1064, R = 0. 054 and Rw= 0. 064 for 2405 renections with I≥>3δ(I). TheX-ray diffraction analysis reveals that the two hydrogen atoms at a-C are located at differeat magnetic environments, which can explain the nonequivalence phenomnon in 1HNMR spetrum.
