Synthesis and crystal structure of N-(6-methoxylbenzothiazol-2-yl)-1-(4-fluorophenyl)-O,O-dipropyl-α-aminophosphonate

被引：7

作者：

Yang, S

Song, B ^{[1
]}

Hong, YP

Jin, LH

Hu, DY

机构：

[1] Guizhou Univ, Ctr Res & Dev Fine Chem, Guiyang 550025, Peoples R China

[2] Guizhou Univ, Minist Educ, Key Lab Green Pesticide & Agr Bioengn, Guiyang 550025, Peoples R China

来源：

JOURNAL OF CHEMICAL CRYSTALLOGRAPHY | 2005年 / 35卷 / 11期

基金：

中国国家自然科学基金;

关键词：

crystal structure; alpha-aminophosphonate; fungicide;

D O I：

10.1007/s10870-005-5134-8

中图分类号：

O7 [晶体学];

学科分类号：

0702 ; 070205 ; 0703 ; 080501 ;

摘要：

Molecular and crystal structure of N-(6-methoxybenzothiazol-2-yl)-1-(4-fluorophenyl)O,O-dipropyl-alpha-aminophosphonate, C21H26FN2O4PS, have been determined by single-crystal X-ray diffraction study. The title compound is tetragonal, with a = 21.35(3) angstrom, c = 20.16(5) angstrom, Z = 16, D-x = 1.308 Mg/m(3), mu(MoK alpha) = 0.247 mm(-1), and space group is I4(1)/a. The structure was solved by direct method and refined to a final R = 0.0687 for 2370 reflections with I > 2 sigma (I). The compound shows a fully delocalized benzothiazole system with a sp(2) hybridization of the N(2). There is a strong intermolecular hydrogen bond between P=O and NH. The crystal structure is stabilized by a strong intermolecular N-H center dot center dot center dot O hydrogen bond.

引用

页码：891 / 895

页数：5