Crystal and Molecular Structure of 1-Phenoxy(α-methyl)acetyl-2-diethylamino-3-phenyl-1,3,2-diazaphos

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The crystal of the title compound (C21H26N3O3PS, Mr=431.48) belongs to the monoclinic system space group with P21/n, a=13.253(3), b=7.979(2), c=21.475(4), β=97.44(3)°, V=2251.8(9)3, Z=4, Dc=1.273g/cm3, μ=2.41cm-1, F(000)=912. The final R is 0.0624 and wR is 0.1614 for 3840 observed reflections [I>2σ(I)]. The results of structure analysis indicate that the five-membered heterocycle is coplanar. The P(1)-N(1), P(1)-N(2), P(1)-N(3) bond lengths (1.625, 1.709, 1.694, respectively) indicate the existence of the d-p π bonds between P and nitrogen atoms of the title compound. It also reveals that the configurations of two chiral centers C(31) and P(1) are S and R respectively.
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