3,5-二碘水杨醛缩乙醇胺的晶体结构及抑菌活性

Crystal structure and antibacterial activities of 3,5-diiodosalicylaldehyde-2-aminoethanol

以水杨醛为原料,经碘代反应合成了3,5-二碘水杨醛,在室温下与乙醇胺作用合成3,5-二碘水杨醛缩乙醇胺.利用核磁共振波谱、红外光谱对标题化合物进行了表征,用单晶X射线法测定了标题化合物的晶体结构.该化合物为单斜晶系,空间群为P21/c,晶体学参数:a=1.602 6(5)nm,b=0.869 3(1)nm,c=0.840 6(3)nm;β=102.001 0(10)°;F(000)=768,Z=4,V=1.145(6)nm3,Dc=2.418 g.cm-3,Mr=416.97.最终结构偏离因子R=0.037 9,Rw=0.062 1;S=1.052.最终差值电子密度的最大值和最小值分别为854 nm-3和-646 nm-3.运用MTT法对标题化合物的抑菌活性进行了研究,实验结果显示标题化合物对6种革兰氏菌(B.subtilis,S.aureus,S.faecalis,P.aeruginosa,E.coli和E.cloacae)的最小抑制浓度分别为6.25,12.5,25,12.5,6.25,12.5μg.ml-1.

3,5-Diiodosalicylaldehyde-2-aminoethanol has been synthesized by 3,5-diiodosalicylaldehyde and 2-aminoethanol at room temperature. The structure was determined by 1 HNMR, IR and single X-ray crystallography study. The title compoud C9H9I2NO2 crystallizes in the monoclinic space group P21/c with the cell parameters a = 1. 602 6（5）nm, b=0. 869 3（1） nm, c=0. 840 6（3） nm; β=102. 001 0（10）°; F（000）=768,Z=4, V=1. 145（6） nm^3 , Dc=2. 418 g · cm^-3 , M,=416.97. R=0. 037 9, Rw =0. 062 1; S=1. 052. The largest differences in peak and hole of electron density are 854 nm^-3 and - 646 nm^-3. The title compound was assayed for antibacterial （B. subtilis, S. aureus, S： faecalis, P. aeruginosa, E. coli and E. cloacae） activities by MTT （3-（4,5-dimethyltKia- zol-2-yl）-2,5-diphenyl trtrazolium bromide） method. It showed favorable antimicrobial activity with MICs of 6.25, 12.5, 25, 12.5, 6.25, 12. 5 μg · ml^- 1 against B. subtilis, S. aureus, S. faecalis, P. aeruginosa, E. coli and E. cloacae, respectively.