含苯并噻唑环的硫脲类化合物的合成、晶体结构及抑菌活性研究

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)nm3,Dc=1.628 Mg/m3,μ=2.738 mm-1,Z =2,F(000)=408,最终偏差因子R1=0.030 4,wR2 =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.

Synthesis,Crystal Structure and Antibacterial Activity of Thiourea Derivatives with Benzothiazole-ring

In this work,a series of thiourea derivatives with benzothiazole-ring were synthesized from substituted benzoic acid,eight of them are new compounds.The structures had been confirmed by elemental analysis,IR and 1HNMR.The crystal structure of N-(2-bromobenzoyl)-N'-(4-methylbenzothiazole-2-base) thiourea was determined by X-ray diffraction analysis,the crystal belongs to the triclinic system,space group P1,unit cell dimensions with 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)°,y =108.278(8)°,V =0.828 74(13) nm3,Dc =1.628 Mg/m3,μ =2.738 mm-1,Z =2,F(000) =408,the final R1 =0.030 4,wR2 =0.075 6[I ＞2σ(I)],S =1.048,CCDC:1471387.The common pathogenic bacterias on the main economic crops (rice,sugarcane,tomatoes,manioc,longan,litchi) in Guangxi province was choosed to proceed antibacterial activity test,the result showed that the compounds exhibited certainly antibacterial activity.