Premium
Synthesis, structure and biological activities of novel triazole compounds containing N,N ‐dialkyldithiocarbamate moiety
Author(s) -
Xu LiangZhong,
Jian FangFang,
Shi JianGang,
Sun PingPing,
Jiao Kui
Publication year - 2004
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.20040220717
Subject(s) - chemistry , monoclinic crystal system , moiety , crystal structure , crystallography , molecule , 1,2,4 triazole , intermolecular force , single crystal , proton nmr , nuclear magnetic resonance spectroscopy , stereochemistry , infrared spectroscopy , medicinal chemistry , organic chemistry
The two compounds, 2, 2‐dimethy1‐4‐S‐( N,N‐ dimethyldithiocarbamato)‐5‐(1, 2, 4‐triazol‐1‐yl)‐propione (1) and 2, 2‐dimethyl‐4‐S‐( N,N,‐ diethyldithiocarbamato)‐5‐(1, 2, 4‐triazol‐1‐yl)‐3‐propione (2), were prepared by reacting N,N ‐dialkyldithiocarbamate sodium with 2, 2‐dimethyl‐4‐bromo‐5‐(1, 2, 4‐triazol‐l‐yl)‐propione. Their structures were identified by elemental analysis, IR and 1 H NMR spectroscopy. The structure of 1 has been determined by X‐ray single crystal structure analysis. It crystallizes in monoclinic system with space group P2 1 / c, a =1. 2315(3) nm, b=1.2057(2) nm, c =1.2532(3) nm, β=118.55(3)°, 2=4, V=1.6345(6) nm 3 , D c =1.221 g/cm 3 , p=0.324 mm −1 , F (000)=640. final R 1 =0.0449. There is obvious potentially weak C‐H···N intermolecular interaction in the crystal, which stabilizes the crystal structure. The result of the biological test showed that the two compounds have fungistasis and plant growth regulating activities.