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以取代苯甲酸为原料合成了一系列含苯并噻唑环的硫脲类化合物,其中有8个为新型化合物,化合物结构均经元素分析、IR、~1HNMR表征。采用X-射线单晶衍射测定了N-(2-溴苯甲酰基)-N’-(4-甲基苯并噻唑-2-基)硫脲的晶体结构,该晶体属于三斜晶系,P1空间群,晶胞参数a=0.741 68(7)nm,b=1.088 71(10)nm,c=1.206 82(11)nm,α=103.504(8)°,β=106.632(8)°,γ=108.278(8)°,V=0.828 74(13)nm~3,Dc=1.628 Mg/m~3,μ=2.738 mm~(-1),Z=2,F(000)=408,最终偏差因子R_1=0.030 4,wR_2=0.075 6[I>2σ(I)],S=1.048,CCDC号为1471387。选择广西主要经济作物(水稻、甘蔗、番茄、木薯、龙眼、荔枝)中常见的病原菌,对目标化合物进行室内抑菌活性测试,结果发现该类化合物具有一定的抑菌活性。
A series of thioureas containing benzothiazole rings were synthesized from substituted benzoic acids. Eight of them were novel compounds. Their structures were characterized by elemental analysis, IR and 1H NMR. The crystal structure of N- (2-bromobenzoyl) -N ’- (4-methylbenzothiazol-2-yl) thiourea was determined by X-ray single crystal diffraction and belongs to the triclinic system. P1 space group with a = 0.741 68 (7) nm, b = 1.088 71 (10) nm and c = 1.206 82 (11) nm with a = 103.504 (8) ° and β = 106.632 γ = 108.278 (8) °, V = 0.828 74 (13) nm ~ 3, Dc = 1.628 Mg / m ~ 3, μ = 2.738 mm -1, Z = 2, F Deviation factor R_1 = 0.030 4, wR_2 = 0.075 6 [I> 2σ (I)], S = 1.048 and CCDC number is 1471387. The common pathogenic bacteria in Guangxi’s main cash crops (rice, sugarcane, tomato, cassava, longan and lychee) were selected to test the antibacterial activities of the target compounds in indoor. The results showed that these compounds have certain antibacterial activity.