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化学学报
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化学学报 ›› 1991, Vol. 49 ›› Issue (3): 225-231. 上一篇    下一篇

研究论文

新型磷杂三环化合物的结构研究

陈茹玉;包容;姚心侃;王如骥   

  1. 南开大学元素有机化学研究所;南开大学中心实验室
  • 发布日期:1991-03-15

Structural researth for mew phosphadiazine compounds

CHEN RUYU;BAO RONG;YAO XINKAN;WANG RUJI   

  • Published:1991-03-15

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539

用X射线衍射方法测定了6,12-二氧代-1-对氯苯亚胺基-11-乙基-1,4,3-硫氮磷杂环已烷并[3,4-b]-1,3,2-苯并二氮磷杂环已烷(1)和6,12-二氧代-1-N-苄亚胺基-11-乙氧甲酰甲基-1,4,3-硫氮磷杂环已烷并[3,4-b]-1,3,2-苯并二氮磷杂环已烷(2)的晶体结构。1的晶体属P2~1/n空间群, a=11.276(1), b=10.109(1),c=15.750(2)A; β=94.37(1)^°; Z=4, D~m=1.50, D~c=1.51g/cm^3。对于2569个可观测反射点。最终的R=0.033。2的晶体属Pcab空间群, a=10.596(1),b=19.117(2), c=20.744(2)A; Z=8; D~m=1.39, D~c=1.40g/cm^3。对于1809个可观测反射点, 最终的R=0.031。对这两种新型的磷杂三环化合物的构象进行了分析,并指出了影响磷杂环构象的原因。

关键词: 晶体结构, Ｘ射线衍射分析, 氮杂环化合物, 磷杂环化合物, 硫杂环化合物, 构象, 三员杂环化合物

The crystal structures of 6,12-dioxo-1-(p-chlorophenyl)imino-11-ethyl-1,4,3-thiaazaphosphacycloh exano[3,4-b]-1,3,2-benzodiazaphosphorin (I) and 6,12-dioxo-1-N-benzylideneamino-11-ethoxycarbonylmethyl-1,4,3-thiaaz aphosphacyclohexano[3,4-b]-1,3,2-benzodiazaphosphorin (II) have been determine by X-ray diffraction method. The crystals of I are monoclinic. The crystals of II are orthorhombic. The conformations of these two new phosphadiazine compounds and the factors which influence the conformations are discussed.

Key words: CRYSTAL STRUCTURE, X-RAY DIFFRACTION ANALYSIS, NITROGEN HETEROCYCLICS, PHOSPHOROUS HETEROCYCLIC COMPOUNDS, SULFUR HETEROCYCLICS COMPOUNDS, CONFORMATION, THREEMEMBER HETEROCYCLICS COMPOUNDS

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