XU, Liang-Zhong(许良忠); JIAN, Fang-Fang(建方方); SHI, Jian-Gang(时建刚); LI, Lin(李琳)
Four compounds were prepared by reacting 4,6-dimethyl-2-mercaptopyrimidine with α-bromo-α-(1,2,4-triazol-1-yl)-substituted acetylbenzene. Their structures were identified by means of elemental analysis, IR, and 1H NMR spectra. The single crystal structure of 2- [ 1 -(1,2,4-triazol- 1-yl)- 1-p-methoxyphenylcarbonylmethylthio] -4,6-dimethyl-pyrimidine was also determined. It crystallizes in monoclinic system, space group P21/c, a=0.8016(2) nm, b=1.2462(3) nm, c= 1.7824(4) nm,β=99.89(3)°, Z=4, V=1.7540(7) nm3, Dc=1.346 g/cm3, μ=0.205 mm-1, F(000)=744, final R1=0.0452. There is obviously potentially weak C-H…N intermolecular interaction between the molecules in the crystal lattice, which stabilizes the crystal structure. The result of the biological test showed that the four compounds all have some fungicidal and plant growth regulating activities.
Full Text Available The title Schiff base compound, C22H19NO2S, crystallized with two independent molecules (A and B in the asymmetric unit. Both molecules have an E conformation about the C=N bond. The two molecules differ in the orientation of the aromatic rings with respect to each other. The outer 4-methoxybenzene ring is inclined to the central benzene ring and the outer 4-acetylbenzene ring by 1.80 (19 and 63.73 (19°, respectively, in molecule A, and by 6.72 (18 and 68.53 (19°, respectively, in molecule B. The two outer benzene rings are inclined to one another by 63.77 (18 and 63.19 (18° in molecules A and B, respectively. In the crystal, the individual molecules stack in columns along , and are linked by a number of C—H...π interactions, forming slabs lying parallel to (001.