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
Author(s) -
XingHai Liu,
JianQuan Weng,
ChengXia Tan
Publication year - 2012
Publication title -
journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.436
H-Index - 50
eISSN - 2090-9063
pISSN - 2090-9071
DOI - 10.1155/2013/306361
Subject(s) - triclinic crystal system , chemistry , thio , crystal structure , stereochemistry , crystal (programming language) , crystallography , triazole , organic chemistry , computer science , programming language
A new 1,2,3-thiadiazole compound was synthesized and characterized. The 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) Å, α = 89.97(3)°, β = 82.27(3)°, γ = 73.17(3)°, V = 771.3(3) Å3, Z = 2, F(000) = 360, Dc = 1.496 g/cm3, μ = 0.036 mm−1, the final R1 = 0.0358, and wR2 = 0.0986 for 2204 observed reflections with I>2σ(I). A total of 5697 reflections were collected, of which 2719 were independent (Rint=0.0028). The herbicidal activity of title compound was determined; the results showed that the title compound displayed excellent fungicidal activity
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