Preparation,Crystal Structure and Fungicidal Activity of N-(5-(benzofuranol-7-oxymethyl)-1,3,4-thiadiazol-2-yl)amide Compounds

作     者：WANG Chun-Nong ZENG Tai-Ning LI Sheng-Nan LI Wan LI Long-Fei CAO Feia YANG Zi-Hui 王春浓;曾泰宁;李胜男;李婉;李龙飞;曹飞;杨子辉

作者机构：College of Pharmaceutical SciencesKey Laboratory of Analytical Science and Technology of Hebei ProvinceKey Laboratory of Medicinal Chemistry and Molecular Diagnosis of Ministry of EducationHebei UniversityBaoding 071002China Shan Dong Jinhuahai Biotechnology Co.Ltd Jinan 251400China 

出 版 物：《Chinese Journal of Structural Chemistry》 (结构化学（英文）)

年 卷 期：2022年第41卷第3期

页      面：211-217,I0013页

核心收录：

学科分类：081704[工学-应用化学] 07[理学] 08[工学] 0817[工学-化学工程与技术] 070303[理学-有机化学] 0703[理学-化学] 

基　　金：supported by the Scientific Research Foundation of Hebei Educational Committee (No. QN2019058) Natural Science Foundation of Hebei Province of China (No. H2021201059) 

主　　题：N (5 (benzofuranol 7 oxymethyl) 1,3,4 thiadiazol 2 yl)amide,preparation,crystal structure,antifungal activity 

摘      要：A variety of new N-(5-(benzofuranol-7-oxymethyl)-1,3,4-thiadiazol-2-yl)amide compounds(8a-i)were synthesized through four steps from benzofuranol as raw *** crystal structure of compound 8a(C17H21N3O3S,Mr=347.43)was measured by X-ray diffraction,which was classified as monoclinic system,Z=4,V=1742.72(8)Å3,Dc=1.324 Mg/m3,F(000)=736,S=1.03,μ=0.21 mm-1,space group P21 with a=9.9177(3),b=8.9519(2),c=19.8679(5)Å,the final R=0.035 and wR=0.105 for 3873 observed reflections(I2σ(I)).The X-ray structure presented N(3)-H(3)···N(2)and C(6)-H(6)···O(3)intermolecular hydrogen bonds,which acted as an important role in stabilizing the crystal ***,preliminary biological assay on compound 8a showed good fungicidal activity in vivo,with the inhibition of 75%against Pseudoperonospora cu-bensis at 200 mg/L.