论文部分内容阅读
The title compound 1-(4-chlorophenyl)-3-[5-(pyrid-4-yl)-1,3,4-thiadiazol-2-yl]urea (C14H10ClN5OS, Mr = 331.79) has been synthesized by the reaction of 2-amino-5-(pyrid-4-yl)- 1,3,4-thiadiazole with 4-chlorobenzoyl azide, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to triclinic system, space group P with a = 5.8550(8), b = 7.5668(10), c = 16.416(2) , α = 78.364(2), β = 81.204(2), γ = 84.749(2)°, V = 702.58(16) 3, Z = 2, Dc = 1.568 g/cm3, μ = 0.429 mm-1, F(000) = 340, the final R = 0.0442 and wR = 0.1092 for 2001 observed reflections (I > 2σ(I)). X-ray diffraction analysis reveals that the title molecule is nearly planar. In the crystal structure, the molecules are linked by strong intermolecular N-H…N hydrogen bonds together with weak nonclassical intermolecular (C-H…Y, Y = N, O and Cl) hydrogen bonds and stacked through π-π interactions. The preliminary bioassay shows that the title compound exhibits good fungicidal activities against Rhizoctonia solani, Botrytis cinerea and Dothiorella gregaria.
The title compound 1- (4-chlorophenyl) -3- [5- (pyrid-4-yl) -1,3,4- thiadiazol-2-yl] urea (C14H10ClN5OS, Mr = 331.79) has been synthesized by the reaction of 2-amino-5- (pyrid-4-yl) -1,3,4-thiadiazole with 4-chlorobenzoyl azide, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to triclinic system, space group P with a = 5.8550 (8), b = 7.5668 (10), c = 16.416 (2) , α = 78.364 (2), β = 81.204 (2), γ = 84.749 = 702.58 (16) 3, Z = 2, Dc = 1.568 g / cm3, μ = 0.429 mm -1, F (000) = 340, the final R = 0.0442 and wR = 0.1092 for 2001 observed reflections (I> 2σ (I)). X-ray diffraction analysis reveals that the title molecule is nearly planar. In the crystal structure, the molecules are linked by strong intermolecular NH ... N hydrogen bonds together with weak nonclassical intermolecular (CH ... Y, Y = N, O and Cl) hydrogen bonds and stacked through π-π interactions. The preliminary bioassay shows that the title compound exhibits good fungic idal activities against Rhizoctonia solani, Botrytis cinerea and Dothiorella gregaria.