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Synthesis, Crystal Structure and Bioactivities of N ‐(4‐Methyl‐ benzamido)‐ N′ ‐[5‐(2‐trifluoromethylphenyl)‐2‐furoyl]thiourea
Author(s) -
XUE SiJia,
BIAN WangDong,
CHAN An,
YU SongRui
Publication year - 2008
Publication title -
chinese journal of chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.28
H-Index - 41
eISSN - 1614-7065
pISSN - 1001-604X
DOI - 10.1002/cjoc.200890271
Subject(s) - chemistry , monoclinic crystal system , thiourea , crystal structure , crystal (programming language) , botrytis cinerea , hydrogen bond , crystallography , molecule , intermolecular force , stereochemistry , organic chemistry , botany , computer science , biology , programming language
The title compound N ‐(4‐methylbenzamido)‐ N′ ‐[5‐(2‐trifluoromethylphenyl)‐2‐furoyl]thiourea has been synthesized for the first time and its crystal structure (C 21 H 16 F 3 N 3 O 3 S, M r =447.43) has been determined by single‐crystal X‐ray diffraction analysis. The crystal belongs to monoclinic, space group P ‐1 with a =0.9677(7) nm, b =1.0461(8) nm, c =1.0771(7) nm, β =98.912(6)°, V =1.0083(12) nm 3 , Z =2, D c =1.474 g/cm 3 , µ =0.22 mm −1 , F (000) =460, R =0.0445 and wR =0.194 for 3504 unique reflections with 2598 observed ones [ I >2δ( I )]. In the crystal structure, there are some intra‐ and intermolecular hydrogen bonds and C–H··· interaction between the molecules, which stabilize the crystal structure. The preliminary bioassay shows that the title compound exhibits good fungicidal activities against Fusarium oxysporium , Botrytis cinereapers , and Dothiorella gregaria.