CAJ | 학술논문

以2，4-二羟基苯乙酮、氯酸钾和盐酸为原料，在微波辅助作用下，合成了2，4-二羟基-3，5-二氯苯乙酮，研究了溶剂的用量、反应辐射功率和反应时间对产物的影响．利用核磁共振波谱、红外光谱及单晶X射线法对目标化合物进行表征．研究表明，该化合物为单斜晶系，空间群为P21/c，晶体学参数：a＝0．8006（4）nm，b＝1．4992（8）nm， c＝0．7295（4）nm；α＝γ＝90°，β＝95．506（6）°；F（000）＝448，Z＝4，V＝0．8716（8）nm3，Dc＝1．684 g·cm-3，Mr＝221．03．最终结构偏离因子R＝0．0516，Rw＝0．1508；S＝1．121．最终差值电子密度的最大值和最小值分别为509 nm-3和-580 nm-3．
이2，4-이간기분을동、록산갑화염산위원료，재미파보조작용하，합성료2，4-이간기-3，5-이록분을동，연구료용제적용량、반응복사공솔화반응시간대산물적영향．이용핵자공진파보、홍외광보급단정X사선법대목표화합물진행표정．연구표명，해화합물위단사정계，공간군위P21/c，정체학삼수：a＝0．8006（4）nm，b＝1．4992（8）nm， c＝0．7295（4）nm；α＝γ＝90°，β＝95．506（6）°；F（000）＝448，Z＝4，V＝0．8716（8）nm3，Dc＝1．684 g·cm-3，Mr＝221．03．최종결구편리인자R＝0．0516，Rw＝0．1508；S＝1．121．최종차치전자밀도적최대치화최소치분별위509 nm-3화-580 nm-3．
The title compound,2 ,4-dihydroxy-3 ,5-dichloroacetophenone,has been designed and microwave synthe-sized by 2 ,4-dihydroxyacetophenone,KClO3 and HCl.The influence of the solvent dosage,reaction time and micro-wave radiation power on the synthesis has been studied.The structure was determined by 1 HNMR,IR and single X-ray crystallography study.The title compoud C8 H6 Cl2 O3 crystallizes in the monoclinic space group P21/c with the cell parameters a= 0. 800 6(4)nm,b= 1. 499 2(8)nm,c= 0. 729 5(4)nm,α=γ= 90°,β= 95. 506(6)°,F(000)=448,Z= 4,V= 0. 871 6(8)nm3 ,Dc= 1. 684 g·cm-3 ,Mr= 221. 03.R= 0. 051 6,Rw= 0. 150 8,S= 1. 121.The lar-gest difference in peak and hole are 509 nm-3 and -580 nm-3 .