Synthesis and Crystal Structure of 1-(o-methylphenyl)-2-(p-methoxyphenyl)-1,3,2-diazaphospholidin-4-thione-2-sulfide  

作　　者：HE Liang-Nian  CHEN Ru-Yu ZHOU Jia(Institute of Elemento-Organic Chemistry, National Key Laboratory ofElemento - Organic Chemistry, Nankai University, Tianjin, 300071)WANG Hong-Gen YAO Xin-Kan(Central Laboratory, Nankai University, Tianjin, 300071) 

出　　处：《Chinese Journal of Structural Chemistry》1997年第3期215-218,共4页结构化学（英文）

摘　　要：The crystal structure of the title compound C16H17N2OPS2, has beendetermined by single-crystal X-ray diffraction at 299K. The crystal is monoclinic withspace group P21/n, a=9. 549(2), b= 7- 954(5), c=23. 039(8) A, β= 96. 30(2)°,V= 1739(2) A 3, Z=4, Mr= 348. 3, F(000) = 728, μ(MoKa) =0. 386 mm-1, Dc=1. 331 g/cm3- The final R factor is 0. 044 and Rw is 0. 047 for 1002 observed reflections[I≥3δ(I)]. The five-membered heterocycle has a coplanar structure. The P - N (1)bond length(1. 636 A ) indicates the existence of the d-p π bond between P and N(1)atoms of the title compound.The crystal structure of the title compound C16H17N2OPS2, has beendetermined by single-crystal X-ray diffraction at 299K. The crystal is monoclinic withspace group P21/n, a=9. 549(2), b= 7- 954(5), c=23. 039(8) A, β= 96. 30(2)°,V= 1739(2) A 3, Z=4, Mr= 348. 3, F(000) = 728, μ(MoKa) =0. 386 mm-1, Dc=1. 331 g/cm3- The final R factor is 0. 044 and Rw is 0. 047 for 1002 observed reflections[I≥3δ(I)]. The five-membered heterocycle has a coplanar structure. The P - N (1)bond length(1. 636 A ) indicates the existence of the d-p π bond between P and N(1)atoms of the title compound.

关 键 词：phosphorus HETEROCYCLE Lawesson’s REAGENT crystal structure herbicidal activity 

分 类 号：O76[理学—晶体学]