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The title compound 3-(difluoromethyl)-1-methyl-N-((2-(trifluoromethyl)phenyl)-carbamoyl)-1 H-pyrazole-4-carboxamide(C_(14) H_(11) F_5 N_4 O_2) was synthesized, and its structure was confirmed by ~1 H NMR, H RMS and X-ray diffraction. It crystallizes in monoclinic system, space group P2_1/n with a = 6.994(3), b = 13.860(6), c = 15.308(7) ?, β = 97.632(6)°, V = 1470.8(11) ?~3,Z = 4, the final R = 0.0692 and wR = 0.2108 for 3989 observed reflections with Ⅰ 2σ(Ⅰ). The preliminary biological test shows that the title compound has moderate fungicidal activities against Pseudomonas syringae. 相似文献
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采用亚结构拼接法,将苯氧乙酸类结构引入酰基硫脲中,设计并合成了8个新型的硫脲类化合物——N-(取代苯氧乙酰胺基)-N'-(1-甲基环己基酰基)硫脲(5a~5h);5a~5h在酸性条件下关环形成8个新型的含1,3,4-噻二唑的酰胺类化合物——1-甲基-N-(5-取代基-1,3,4-噻二唑-2-基)环氧甲酰胺(6a~6h),其结构经1H NMR和ESI-MS表征。初步的生物活性测试结果表明,在用药量为500mg·L-1时,N-(2,4-二氯苯氧乙酰胺基)-N'-(1-甲基环己基酰基)硫脲对粘虫的抑制率为80%。 相似文献
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The title compound 2-(((6-chloropyridin-3-yl)methyl)thio)-5-(pyridin-4-yl)-1,3,4-thiadiazole 5(C26H18Cl2N8S4) was synthesized, and its structure was confirmed by 1H NMR, MS and elemental analyses and X-ray diffraction. It crystallizes in the triclinic system, space group P1 with a = 9.452(4), b = 12.335(4), c = 13.017(5) A, α = 90.624(5), β = 110.541(5), γ =104.879(4)°, Dc = 1.561 g/cm3, Z = 2, V = 1364.9(9) A3, F(000) = 656, the final R = 0.0300 and w R = 0.0635 for 4206 observed reflections with I 2σ(I). The preliminary biological test showed that the title compound has activities against Stemphylium lycopersici(Enjoji) Yamamoto, Fusarium oxysporum. sp. cucumebrium, and Botrytis cinerea with inhibitory activities to be 9.82%, 44.44% and 20.00%, respectively. 相似文献
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Reaction of [(μ-SCH2)2NPh]Fe2(CO)6 with Ph2PCH2PPh2 in the presence of Me3NO·2H2O gave the title complex [(μ-SCH2)2NPh]Fe2(CO)5(Ph2PCH2PPh2)(1)in 78% yield.The new complex 1 was characterized by elemental analysis,spectroscopy and X-ray crys-tallography.It crystallizes in triclinic,space group P1 with a = 10.832(2),b = 12.003(2),c = 15.579(3),V = 1785.6(6)3,Z = 2,C32H26Fe2NO5PS2,Mr = 819.40,Dc = 1.524 g/cm3,μ(MoKα)= 1.064 mm-1,F(000)= 840,T = 113(2)K,the final R = 0.0543 and wR = 0.1218 for 6203 observed reflections(I > 2σ(I)).The Ph2PCH2PPh2 ligand resides in an axial position of the square-pyramidal coordination sphere of the Fe atom and trans to the benzene ring in order to reduce the steric repulsion between Ph2PCH2PPh2 and the benzene ring. 相似文献
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本文报道了4个含异恶唑基团的二铁配合物的制备及其结构表征。以含羟基二铁配合物[Fe2(CO)6(μ-SCH2CH(CH2OH)S)] (1)与5-甲基异恶唑-4-羧酸为原料,经过酯化反应以高产率制备了配合物[Fe2(CO)6(μ-SCH2CHCH2OOC(5-C3HNOCH3)S)] (2),再分别与三(对甲苯基)膦、三(4-氟苯基)膦或三(2-甲氧基苯基)膦反应,合成了3个含膦配合物[Fe2(CO)5(L)(μ-SCH2CHCH2OOC(5-C3HNOCH3)S)],其中L=P(4-C6H4CH3)3 (3)、P(4-C6H4F)3 (4)、P(2-C6H4OCH3)3 (5)。使用元素分析、谱学和X射线晶体学对新配合物的结构进行了表征。电化学性质研究表明这些配合物可以催化醋酸中的质子还原产生氢气。其中,2拥有最低的过电位而4拥有最高的催化效率。此外,该类配合物还具有一定的抗菌活性。 相似文献
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The title compound 2-amino-4-chloro-5-(4-methylbenzyl)-6-methylpyrimidine (C26H28Cl2N6, Mr = 495.44) has been synthesized and its crystal structure was determined by single-crystal X-ray diffraction analysis. The crystal belongs to monoclinic, space group P21/c with a = 14.892(7), b = 6.129(3), c = 14.889(7) , β = 109.795(8)°, V = 1278.7(10) 3, Z = 2, F(000) = 520, Dc = 1.287 g/cm3, μ = 0.280 mm-1, the final R = 0.0577 and wR = 0.1589 for 1357 observed reflections with I > 2σ(I). A total of 6091 reflections were collected, of which 2257 were independent (Rint = 0.033). The X-ray analysis reveals that the chlorine atom and methyl of the title compound are disordered. 相似文献
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在AHAS与磺酰脲类除草剂复合物的晶体结构基础上, 利用分子对接程序DOCK 4.0, 通过MDL/ACD三维数据库虚拟筛选, 得到了296个与AHAS结合能较低的小分子化合物结构信息, 从中选取了部分小分子进行化学合成, 并且测试了其生物活性. 部分化合物的体内和体外活性表现出一定的一致性. 相似文献
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为了寻找高活性农药先导化合物,以甲霜灵为先导,通过活性基团拼接原理,设计合成了一系列未见文献报道的双酰胺类化合物,其结构经1H NMR、13C NMR和HRMS表征.初步的生物活性测试结果表明:在50 mg/L测试浓度下,化合物5j对黄瓜霜霉病显示出85%的抑制率;在500 mg/L剂量下,多数目标化合物对粘虫表现出较好的杀虫活性,其中化合物5b,5f,5g,5h,5i,5l对粘虫的致死率高达100%,在250 mg/L测试浓度下,化合物5f,5h,51对粘虫的致死率为50%. 相似文献