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 (C 21H 26N 3O 3PS, M r =431.48) belongs to the monoclinic system space group with P2 1/n, a=13.253(3), b=7.979(2), c=21.475(4), β=97.44(3)°, V=2251.8(9) 3, Z=4, D c =1.273g/cm 3, 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. The crystal of the title compound (C 21H 26N 3O 3PS, M r = 431.48) belongs to the monoclinic system space group with P2 1 / n, a = 13.253 (3), b = 7.979 ) , β = 97.44 (3) °, V = 2251.8 (9)  3, Z = 4, D c = 1.273 g / cm 3, μ = 2 41cm -1, F (000) = 912. 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 (2), P (1) -N (3) bond lengths (1.625, 1.709, 1.694 respectively, respectively) indicate the existence of the dp 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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