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化学学报
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化学学报 ›› 1982, Vol. 40 ›› Issue (9): 699-773.    下一篇

论文

胺草磷的晶体结构

潘佐华1, 金祥林1, 卢光莹2, 顾孝诚2   

  1. 1. 北京大学物理化学研究所物质结构研究室;
    2. 北京大学生物系
  • 投稿日期:1981-04-03 发布日期:2013-06-03
  • 通讯作者: 潘佐华

THE CRYSTAL STRUCTURE OF AMIPROPHOS-M

PAN ZUO-HUA1, JIN XIANG-LIN1, LU GUANG-YING2, GU XIAO-CHENG2   

  1. 1. The Laboratory for Structure of Matter, Peking University;
    2. Department of Biology, Peking University
  • Received:1981-04-03 Published:2013-06-03

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1

胺草磷晶体,属三斜晶系,空间群为Ci1-P1,晶胞中含两个分子,晶体学数据为:a=8.636(1),b=10.483(2),c=10.694(2)Å;α=110.92(1)°,β=111.27(1)°,γ=98.97(1)°;V=796.2(3)Å3,Dc=1.33g/cm3,F(000)=336;μ(MoKα)=3.2cm-1。此结构用直接法解出,最后的R因子为:R1=O.055,R2=0.047。胺草磷分子中的磷原子形成四个四面体向的化学键,其中P-S键含有相当高的双键成分,这意味着磷原子的3d轨函参与成键。

Amiprophos-M,ethyl 2-nitro-4-methylphenyl N-isopropyl phosphoramido-thionate,oryatallizes in the triclinic space group P1 with two molecules in the unit cell.The crystallography parameters are.a=8.636 (1),b=10.483(2),c=10.694(2)Å;α=110.92 (1) °,β=111.27 (1) °,γ=8.97 (1) °; V=796.2 (3) Å3; Dc=1.33 g/cm3;F (000)=336; (MoKα)=3.2 cm-1.The crystal structure has been solved by the direct method and refined by the block-diagonal least-squares procedures to final R values of R1=0.055 and R2=0.047.The phosphorns atom of the Amiprophos molecule forms four tetrahedral covalent bonds,of which the P-S bond ezhibits rather high double bond character.It implies that the empty 3d-orbital of the phosphorus atom should be involved in the chemical bond formation.