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将3-硝基水杨醛和5-甲基-4-异噁唑甲酰肼于中温混合溶剂热体系中合成了标题化合物5-甲基-3-硝基-4-异噁唑甲酰腙(C12H10O4N4,3),并对其进行了单晶结构解析、紫外、荧光和热重分析等表征.结果表明,晶体属正交晶系,Pna21空间群.晶胞参数:a=1.28783(6)nm,b=1.13108(6)nm,c=0.86535(4)nm,V=1.2605nm3,Z=4.标题物3的水溶液在486nm处呈现一强蓝色荧光发射峰,归属于激发态分子内质子转移电荷发光;标题物3对枯草芽孢杆菌、铜绿脓杆菌、大肠杆菌和金黄色葡萄球菌等都有明显的抑菌活性;分子的静电势图(EPM)再现其具有较强的广谱抗菌活性.
The title compound, 5-methyl-3-nitro-4-isoxazolecarboxyl, was synthesized from 3-nitrosalicylaldehyde and 5-methyl-4-isoxazolecarboxylic acid hydrazide Hydrazone (C12H10O4N4,3) was synthesized and characterized by single crystal structure analysis, UV, FTIR and thermogravimetric analysis. The results showed that the crystal belongs to orthorhombic system with Pna21 space group. The cell parameters: a = 1.28783 (6 ) nm, b = 1.13108 (6) nm, c = 0.86535 (4) nm, V = 1.2605 nm3, Z = 4. The title compound 3 aqueous solution exhibits a strong blue fluorescence emission peak at 486 nm and belongs to the excited state molecule The proton transfer charge is luminescent; title 3 has obvious bacteriostatic activity against Bacillus subtilis, Pseudomonas aeruginosa, Escherichia coli and Staphylococcus aureus; the molecular electrostatic potential diagram (EPM) reproduces its strong broad spectrum Antibacterial activity.