关键词: 嘧霉胺氯乙酸盐, 合成, 晶体结构, 杀菌活性

Abstract:

In order to obtain a high-activity pyrimidine fungicide, a new compound N-（4,6-dimethylpyrimidin-2- yl） aniline chloroacetate was synthesized via the reaction of pyrimethanil and ehloroaeetic acid in anhydrous ethanol and was then identified by means of elemental analysis, IR and 1H NMR. Moreover, the crystal structure of the compound was determined via single-crystal XRD, and the fungicidal activity was finally measured. The results indicate that （ 1 ） the crystal is monoclinic in a space group of P4 （2）/n, with the crystal parameters being as follows ： a = （1. 9604 ±0.0004） nm, 6 = （1. 9604 ±0. 0004） nm, c = （0.7542±0. 0003） nm, β =90°, V= （2. 8986 ± 0. 0013） nm³ ,De = 11324g· cm3, Z =8, F（000） = 1232,μ =0.27mm^-1 ; （2） in the compound crystal, ehloroacetate anions are linked to N-（4,6-dimethylpyrimidin-2-yl）-aniline cations via N-H…O hydrogen bonding; （3） within the cations, the pyrimidine ring is twisted with respect to the phenyl ring in a dihedral angle of （7.59 - 0.04） °; and （4） the synthesized compound is of high fungicidal activity.

Key words: N-（4,6-dimethylpyrimidin-2-yl） aniline chloroacetate, synthesis, crystal structure, fungicidal activity