Synthesis, Structure and Biological Activities of 2-（1H- 1,2,3-Benzotriazol-1 -yl ）-1-（ 4- methylphenyl ）-2-（1H-1,2,4-triazol-l-yl）-1-ethanone

The title compound was synthesized and characterized by IR, ^1H NMR, elemental analysis and single crystal X-ray diffraction analysis. Its biological activities were also tested. The results show that the title compound reveals inhibiting activities towards wheat gibberellin, apple ringspot, tomato early blight, peanut cercospora arachidicola and stem wilt of asparagus.     

Crystal Structure and DFT Studies of a Triazole Derivative： 4- （ 2-Hydrobenzylideneamino ） -3- （ 1,2,4-triazol-4-ylmethyl） 1H-1, 2,4-triazole-5 （4H） -thione

A novel triazole derivative 4-(2-hydrobenzylideneamino)-3-(1,2,4-triazol-4-ylmethyl)-1H-1,2,4-triazole-5(4H)-thione(1) was synthesized and characterized using elemental analysis, FTIR, and 1H NMR, and its crystal structure was determined via X-ray single crystal diffraction analysis. Crystal data: monoclinic, P2(1)/c, a=0.83335(9) nm, b=1.49777(16) nm, c=1.14724(12) nm, β =107.990(2)°, D=1.470 Mg/m3, and Z=4. The geometries and the vibrational frequencies were determined using the density functional theory(DFT) method at the B3LYP/ 6-31G level. To demonstrate the accuracy of the reaction route of compound 1, one of the important intermediates was also tested using the same method. The structural parameters of the two compounds calculated using the DFT study are close to those of the crystals, and the harmonic vibrations of the two compounds computed via the DFT method are in good agreement with those in the observed IR spectral data. The thermodynamic properties of the title compound were calculated, and the compound shows a good structural stability at normal temperature. The test results of biological activities show that it has a certain bactericidal ability.     

Synthesis, Structure and Biological Activities of 2- （4-Met hoxybenzoyl ）-N-phenyl- 2- （ 1,2,4-triazol- 1-yl ） thioacetamide

The title compound, 2-(methoxybenzoyl)-N-phenyl-2-(1,2,4-triazol-l-yl) thioacetamide was synthesized by several reactions from 4-methoxyacetophenone, triazole and phenyl isothiocyanate. The structure was identified by elemental analysis, ^1H NMR, MS and IR. The single crystal structure of 2-(methoxybenzoyl)-N-phenyl-2-(1,2,4-triazol-l-yl)thioacetamide was determined withX-ray diffraction. The preliminary bioassays show that the title compound exhibits weak antifungal activities and plant-growth regulatory activity.     

Synthesis, Characterization, Crystal Structure and Antibacterial Activities of a Nickel（Ⅱ） Complex with 2＇-（2-Thienylidene）-hydroxybenzoylhydrazide

In the ethanol solvent, a nickel(Ⅱ) complex Ni(C12H10N2O2S)2 upon reaction of 2'-(2-thienylidene)-hydroxybenzoylhydrazide with nickel acetate was synthesized, and its structure was characterized by IR, UV, elemental analysis and X-ray diffraction analysis. The crystal belongs to monoclinic system, space group C2/c with a = 22.052(3), b = 5.9681(6), c = 18.522(2) (A), β = 110.679(4)° , V = 2280.6(4) (A)3, Z = 4, Mr = 551.27, μ = 1.606 mm-1, Dc = 1.075 g/cm3, F(000) = 1136 and Rint = 0.0556. The nickel(Ⅱ) atom in the compound is four-coordinated with two nitrogen atoms from amide and two oxygen atoms from keto group. The biological activities have been measured, show- ing the compound exhibits better anti-bacterial activity than the ligand.     

Synthesis, Crystal Structure, and Biological Activities of 2-Oxo-2-aryl-1 - （ 1,2,4-triazol-1 -yl ） ethyl phenylcarbamodithioate

IntroductionAs an important type of fungicide, compoundscontaining 1,2,4-triazole groups have attracted muchattention because they exhibit a certain fungicidal acti-vity againstPuccinia reconditeand also play a role inroot-growth regulation[1—3]. However…     

Synthesis, Crystal Structure and Fluorescent Properties of 1-（4-（Dimethylamino）benzylidene）- 4-（naphthalen- 1-yl） Thiosemicarbazide

1 INTRODUCTION Recently, for the fluorescent properties, Schiff base has been more and more important and widely studied in density optical memories, nonlinear op- tics (NLO), organic light-emitting diodes (OLED), polymer LED and electrogenerated chemilumines- cence (ECL)[1~5]. Thiosemicarbazones are a kind of Schiff bases with thiourea and good ligands easily chelating with transition metal ions. Although they have been studied extensively for a long time due to their chemical and b…     

Synthesis, Crystal Structure and Antibacterial Activities of 3-[（2-Hydroxy-4-diethylamino-phenyl）methylenehydrazinocarbonyl]-4-hydroxy-6-methyl-2（1H）-pyridinones

1 INTRODUCTION Recently, compounds containing pyrazole, imida- zole, triazole (including benzotriazole), pyridine, tetrazole and indole have attracted much interest because of their fungicidal activity, plant-growth regulating activity and antibacterial activity[1～3]. Schiff bases also constitute a good type of biolo- gically active substructures[4～7]. Studies of pyri- dine Schiff base-type fungicides have been repor- ted[8]. However, some structures of pyridine com- pounds containing h…     

Synthesis and Crystal Structure of N''-(4-fluorobenzylidene)-2-(1H-1,2,4-triazole-1-yl) acetohydrazide

N'-(4-fluorobenzylidene)-2-(1H-1,2,4-triazole-1-yl)acetohydrazide was synthesized by the reaction of 4-fluorobenzaldehyde with 2-(1H-1,2,4-triazole-1-yl) acetohydrazide. The structure was confirmed via elemental analysis, MS,1H NMR, IR, and X-ray diffraction. It crystallized in a monoclinic system with space group P2 ( 1 ), a =0.4905(1) nm, b=0.8160(2) nm, c=1.4105(3) nm,β=93.33(3)°,Z=2, V=0.5636(2) nm3, Dc =1.457 Mg/m3,μ=0.112 mm-1 , F(000) =256, and final R1 =0. 0685. Several intermolecular hydrogen-bond interactions existed in the crystal structure, facilitating the stabilization of the compound.     

Synthesis, Crystal Structure and Biological Activities of 2- （4-Fluorophenyl） -2-oxo-1-（1H-1,2,4-triazol-1-yl） ethyl morpholine-4-carbodithioate

The title compound, 2-（ 4-fluorophenyl ） -2-oxo-1-（ 1H-1, 2,4-triazol-1-yl ） ethyl morpholine-4-carbodithioate, was synthesized and its structure was confirmed by means of IR, MS, 1 H NMR and elemental analysis. The single crystal structure of the title compound was determined by X-ray diffraction. The preliminary biological test showed that the synthesized compound possesses some biological activities.     

Structure and Biological Activities of 2-（ 1,3-Dithiolan-2-ylidene）-1-phenyl-2- （ 1,2,4-triazol-1 -yl ） ethanone

In order to find leading compounds with an excellent fungicidal activity, the title compound 2-（ 1,3-dithiolan-2- yl-idene）-1-phenyl-2-（ 1,2,4-tfiazol-1-yl） ethanone was synthesized according to the biological isosterism and its structure was confirmed by means of IR, MS, ^1 H NMR and elemental analysis. The single crystal structure of the title compound was determined by X-ray diffraction. The preliminary biological test shows that the synthesized compound exhibits some biological activities.     

Structure and Biological Activities of 3-Phenyl-2-[1-benzoyl-1- （1,2,4-triazol-1-yl）] Methenyl Thiazolidine

The title compound 3-phenyl-2-[1-benzoyl-1-(1,2,4-triazol-1-yl)]methenyl thiazolidine was synthesizedfrom acetophenone, triazole, phenylthioisocyanate and 1,2-dibromo-ethane by several step reactions. Itsstructure was identified by means of ^1H NMR, MS and IR spectrometries. The single crystal structure of 3-phenyl-2-[1-benzoyl-1-(1,2,4-triazol-1-yl)]methenyl thiazolidine was determined by X-ray diffraction.The preliminary bioassays have shown that the title compound exhibits the weak activities of fungicide andplant growth regulator.     

Synthesis,Structure and Biological Activities of 2-(1H- 1,2,3-Benzotriazol-1-yl)-1-(4-methylphenyl)-2- (1H-1,2,4-triazol-1-yl)-1-ethanone

IntroductionTriazole derivatives have become the most rapidlyexpanding group of antifungal compounds with advanta-ges of lowtoxicity, high oral bioavailability and broad-spectrum antifungal activity, which can be used againstfungi including most yeasts an…     

Synthesis, Crystal Structure and Antitumor Activity of 4-tert-Butyl-N-（2-fluorophenyl）-5- （1H-1,2,4-triazol-1-yl）-thiazol-2-amine

The title compound has been synthesized by the reaction of 1-bromo-3,3-dime- thyl-1- (1H-1,2,4-triazol-1-yl)butan-2-one with 1-(2-fluorophenyl)thiourea, and its crystal structure was determined by single-crystal X-ray diffraction. The crystal belongs to the orthorhombic system, space group Pbca with a=15.2568(6), b=12.1533(5), c=16.7307(7) , Z=8, V=3102.2(2)3, Mr=317.39, Dc=1.359 g/cm3, S=1.05, μ=0.223 mm-1, F(000)=1328, the final R=0.034 and wR=0.097 for 2590 observed reflections (I>2σ(I)). X-ray crystal structure presents the intramolecular N-H…N hydrogen bond, which plays an important role in stabilizing the crystal structure. In addition, the preliminary biological test on the title compound shows good antitumor activity, with IC50 of 0.122 μmol/mL against the Hela cell line.     

有机锡2-[(1,2,4-三唑-1-基)甲基硫代]苯甲酸酯的合成与生物活性

通过硫代水杨酸与(1-氯甲基)-1,2,4-三唑盐酸盐在碱性条件下的反应, 合成了2-[(1,2,4-三唑-1-基)甲基硫代]苯甲酸. 利用该酸与(R₃Sn)₂O(R=Et, n-Bu, Ph), Cy₃SnOH(Cy为环己基)或Et₂SnO反应, 得到了5个有机锡羧酸酯. 用X射线单晶衍射测定了三正丁基锡2-[(1,2,4-三唑-1-基)甲基硫代]苯甲酸酯的晶体结构. 在该化合物中, 锡为五配位的三角双锥结构. 该化合物通过三唑四位氮原子与锡配位, 形成一维链状配位高分子. 初步的生物活性测试结果表明, 所有的有机锡化合物都表现出了明显的抗真菌活性.