Synthesis, Crystal Structure, and Fungicidal Activity of 5-(4-cyclopropyl-5-((3-fluorobenzyl)thio)-4H-1,2,4-triazol-3-yl)-4-methyl-1,2,3-thiadiazole

被引:50
作者
Liu, Xing-Hai [1 ]
Weng, Jian-Quan [1 ]
Tan, Cheng-Xia [1 ]
机构
[1] Zhejiang Univ Technol, Coll Chem Engn & Mat Sci, Hangzhou 310014, Zhejiang, Peoples R China
基金
中国国家自然科学基金;
关键词
BIOLOGICAL-ACTIVITY; DFT CALCULATION; 1,2,4-TRIAZOLE DERIVATIVES; ANTIFUNGAL ACTIVITY; ANTITUMOR-ACTIVITY; 1,2,3-THIADIAZOLE; BIOACTIVITY;
D O I
10.1155/2013/306361
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
A new 1,2,3-thiadiazole compound was synthesized and characterized.. e crystal structure of the title compound (C15H14FN5S2, Mr = 347.43) has been determined by single-crystal X-ray diffraction. The crystal is of triclinic, space group P-1 with a = 7.0490(14), b = 9.0212(18), c = 12.799(3) angstrom, alpha = 89.97(3)degrees, beta = 82.27(3)degrees, gamma = 73.17(3)degrees, V = 771.3(3) angstrom(3), Z = 2, F(000) = 360, Dc = 1.496 g/cm(3), mu = 0.036 mm(-1), the final R-1 = 0.0358, and wR(2) = 0.0986 for 2204 observed reflections with I > 2 sigma(I). A total of 5697 reflections were collected, of which 2719 were independent (R-int = 0.0028). e herbicidal activity of title compound was determined; the results showed that the title compound displayed excellent fungicidal activity.
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页数:5
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