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(College of Pharmaceutical Sciences,Key Laboratory of Analytical Science and Technology of Hebei Province,Key Laboratory of Medicinal Chemistry and Molecular Diagnosis of Ministry of Education,Hebei University,Baoding 071002,China;Shan Dong Jinhuahai Biotechnology Co.,Ltd Jinan 251400,China)

机构地区：[1]College of Pharmaceutical Sciences,Key Laboratory of Analytical Science and Technology of Hebei Province,Key Laboratory of Medicinal Chemistry and Molecular Diagnosis of Ministry of Education,Hebei University,Baoding 071002,China [2]Shan Dong Jinhuahai Biotechnology Co.,Ltd Jinan 251400,China

出　　处：《Chinese Journal of Structural Chemistry》2022年第3期211-217,I0013,共8页结构化学（英文）

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

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 materials.The 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(I>2σ(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 structure.Additionally,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.

关 键 词：N-(5-(benzofuranol-7-oxymethyl)-1 3 4-thiadiazol-2-yl)amide preparation crystal structure antifungal activity 

分 类 号：O626.11[理学—有机化学]