结构化学
結構化學
결구화학
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
2001年
2期
83-87
,共5页
Crystal structure of the title compound C16H25O2NS2 has beendetermined by X-ray diffraction method. Its crystallographic data were as follows: Mr=327.51, triclinic, space group P1, a=8.864(3), b=10.127(4), c=10.390(3) Å, α=105.94(3), β=103.10(2), γ=90.96(3)°, V=870.3(7)Å3, Z=2, Dc=1.250g.cm-3, μ(MoKα)=2.966cm-1, F(000)=176, a total of 3275 reflections measured (2θmax=50°), 2246[I≥5σ(I)] used in the refinement, R=0.067, Rw=0.082. The result shows that the distances of N(1)-C(2) and N(1)-C(3) are longer than that of N(1)-C(11), which indicates that the interaction of CAr-Nsp2 is stronger than that of Csp3-Nsp2. Oxygen, nitrogen and sulfur atoms of the ring in the same plane was deduced from the least-squares planes and the dihedral angles.
