结构化学
結構化學
결구화학
CHINESE JOURNAL OF STRUCTURAL CHEMISTRY
2002年
4期
359-363
,共5页
邓胜娄%刘东志%李巍%黄君珉%王宏根%冷雪冰
鄧勝婁%劉東誌%李巍%黃君珉%王宏根%冷雪冰
산성루%류동지%리외%황군민%왕굉근%랭설빙
phosphorus-containing spiroheterocycle%crystal structure%d-pπ bond%intermolecular hydrogen bond
The novel spirophosphoroheterocycle (C14H19N2OPS2, Mr = 326.40) was synthesized by the treatment of Lawesson's reagent with amino cyclohexanenitrile, and its crystal structure was analyzed by X-ray diffraction method. The title compound is of monoclinic, space group P21/n with a = 14.296(4), b = 11.028(3), c = 21.715(6) (A。）, β = 101.823(6), V = 3351.1(2) (A。）3, Z = 8, Dc = 1.294 g/cm3, λ = 0.71073 (A。）, μ(MoKα) = 0.410 mm―1 and F(000) = 1376. The structure was refined to R = 0.0521 and wR = 0.0744 for 5909 observed reflections with I > 2σ(I). X-ray diffraction analysis reveals that there are three rings in the molecule. The saturated 6-membered ring presents in chair conformation and the 5-membered phosphoroheterocycle is planar. The molecules are found to exist in couples. The existence of d-pπ bonds between P and two N atoms and the intermolecular hydrogen bonds are found as well.
