Synthesis, Crystal Structure and Biological Activities of N＇ - （ 4-Methoxybenzylidene ） -2- （ 1H-1, 2,4- triazol-1-yl） acetohydrazide

The title compound, N‘-( 4-methoxybenzylidene ) -2-( IH-1, 2,4-triazol-1-yl ) acetohydrazide, was synthesized and its structure was confirmed by means of IR, MS,^1H 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 has a low antifungal activity.     

Synthesis and Crystal Structure of a Novel Ca(Ⅱ) Coordination Polymer Containing Dipyridine Dicarboxylic Ligand

The novel alkaline metal complex Ca(BPDCH)2(1, BPDCH2 = 2,2'-bipyridine-5,5'-dicarboxylic acid) has been synthesized by the hydrothermal reaction of Ca(NO3)2·4H2O with 2,2'-bipyridine-5,5'-dicarboxylic acid. The molecular and crystal structures of complex 1 have firstly been characterized by FTIR, elemental analysis, and X-ray single-crystal diffraction. The 3D MOF structure of complex 1 was interpreted by the versatile binding modes-the intermolecular hydrogen bonds and π-π stacking interactions of 2,2'-bipyridine-5,5'-dicarboxylic acid ligand. The analysis results show complex 1 belongs to a coordination polymer with 3D MOF structure. The results of thermogravimetric analysis and solubility demonstrate complex 1 is a thermostable compound and does not dissolve in water and traditional organic solvents.     

Crystal Structure of Chiral Acetato-bridged Binuclear Cyclopalladated complex[Pd（μ-O2CM3）（S-C6H4CHMeNH2）]2

Reaction of (S)-α-methylbenzylamine with Pd(OAc)2 in anhydrous HOAc produced the chiral complex[Pd(μ-O2CMe)(S-C6H4CHMeNH2)]2.(1).The complex was characterized by 1H NMR spectroscopy,elemental analysis and a single-crystal Xray analysis.The X-ray crystal structure analysis revealed that complex 1 has four isomers:two outer and two inner isomers.     

Synthesis and crystal structure of (E)-[(2-cyclohexenyl) vinyl]triaryltin

(E)-[(2-Cyclohexenyl)vinyl]triaryltin (aryl=phenyl, p-tolyl) were synthesized and characterized by elemental analysis, IR, 1H NMR spectroscopy. The crystal structure of (E)-[(2-cyclohexenyl)vinyl]triphenyltin was also determined by the X-ray diffraction. Experiments show that this compound has the conjugated system, which makes it have possible bioactivity and anti-tumor activity.     

A Three-dimensional Ba(Ⅱ) Coordination Polymer Based on H_4AQTC(Anthraquinone-1,4,5,8-tetracarboxylic Acid): Quinone Oxygen Atoms Participate in Coordination

A novel coordination polymer [Ba2(AQTC)(H2O)3]n(1, H4 AQTC = anthraquinone-1,4,5,8-tetracarboxylic acid) has been prepared under hydrothermal conditions and characterized by single-crystal X-ray diffraction, elemental analysis, infrared spectroscopy and thermogravimetric analysis. Two quinone oxygen atoms and all carboxylate oxygen atoms of AQTC4- are involved in coordination. Two equivalent barium ions are mainly linked by carboxylate oxygen atoms into a dimer. Neighbouring dimers are further connected by the AQTC4- ligand through carboxylate oxygen atom, leading to a 1-D chain structure. Every two adjacent chains are mainly further connected by face carboxylate oxygen atoms and water molecule, generating a two-dimensional layer structure. Such 2-D layer structures are connected with O(6) and O(6C) atoms from water molecules to form a 3-D structure. In addition, luminescent properties of 1 are also investigated.     

从脯氨酸合成一种三齿手性配体及其在二乙基锌对醛的对映选择性加成中的应用

A new chiral tridentate ligand [1-(1-methyl-S-pyrrolidin-2-ylmethyl)-S-pyrrolidin-2-yl]-diphenylmethanol (1) has been successfully synthesized from S-proline. The structure of the ligand was characterized by NMR spectra and X-ray diffraction analysis. Its catalytic ability has also been examined in enantioselective addition of diethylzinc towards aldehydes with 15%-84% enantiomeric excesses (ee).     

Synthesis and Crystal Structure of the Copper Complex of 7，16-Bis（2-hyd roxy-5-met hylbenzyl）-1,4,10,13-tetraoxa-7,16-diazacyclooctadecane

A lariat crown ether ligand 7,16-bis (2-hydroxy-5-methylbenzyl)- 1,4,10,13-tetraoxa-7,16-diazacyclooctadeeane (L1) has been prepared via one-pot Mannich reaction. Its copper(Ⅱ) complex Cu-L1 was synthesized and characterized by elemental analysis, IR and UV-visible spectroscopy. The crystal structure of the complex has been determined by X-ray diffraction analysis. The result shows that the copper(Ⅱ) ion is six-coordinated by two nitrogen and four oxygen atoms, two from the crown ether and the other two from the deprotonated phenolate anions, forming an elongated octahedral complex. Electrochemical study indicates that the complex undergoes reversible reduction in DMF solution.     

Fluorescence Quenching of a Novel Eu(Ⅲ) Coordination Compound for the Detection of Trace Amounts of Water: Synthesis,Structure and Photoluminescent Property

A novel luminescent coordination compound Eu(TTA)_3(DEDAF)(1, TTA = 1,1,1-trifluoro-3-(2-thenoyl)acetone, DEDAF = 9,9-diethyl-4,5-diazafluoren) has been synthesized and fully characterized by infrared spectrum, elemental analysis, UV-vis spectrum, etc. X-ray single-crystal diffraction analysis reveals that compound 1 shows a mononuclear structure with the europium atom in coordinating to one DAF and three TTA ligands. The mononuclear structure units are assembled into a 3-D polymer by hydrogen bonds and π-π interactions. Photoluminescent property of 1 was investigated in detail at room temperature. Complex 1 emits strong red luminescence. However, it could be quenched even by small amount of water. The fluorescence intensity at 614 nm decreases linearly with the water content increasing(vol% in acetonitrile) in the range of 0.025~0.2% under 278 nm excitation. Thermogravimetric analysis has also been studied, which demonstrates good thermal stability of 1.     

One Novel 2D Co(Ⅱ) Polymer with 1,2,3-Triazole Derivative: Crystal Structure,Fluorescence and Hirshfeld Surface Analysis

One new polymer [Co(L)(H_2O)_2]_n(1) was synthesized by 4-(ethoxycarbonyl)-5-methyl-1H-1,2,3-triazole-1-carboxylic acid(Emtc) under the in situ solvent thermal reaction(H_2L = 1-(carboxymethyl)-5-methyl-1H-1,2,3-triazole-4-carboxylic acid). The title complex performs a wave-like 2D framework and the ligand H_2L demonstrates the coordination mode as μ4-η~2:η~1η~1:η~1. The crystal structure has been established by single-crystal X-ray diffraction, and characterized by FT-IR. Fluorescent property was investigated in this work. Hirshfeld surface analysis has also been carried out on 1, and obvious main intermolecular interactions are observed.     

Synthesis, Spectroscopic Properties and Structural Characterization of Tri（o-chlorobenzyl）tin Ester of 4-Pyridinecarboxylic Acid

The tri(2-chlorobenzyl)tin(IV) complex with 4-pyridinylcarboxylate ligand tri(o-chlorobenzyl)tin ester of 4-pyridinecarboxylic acid has been synthesized by the reaction of tri(2-chlorobenzyl)tin(Ⅳ) chloride with 4-pyridinyl carboxylic acid and characterized by elemental analysis, IR and ^1HNMR, and its crystal structure was determined by X-ray single-crystal diffraction.     

Synthesis,Crystal Structure and Antitumor Activity of a Novel Zn(Ⅱ) Complex with 2-(Nicotinoyloxy)acetic Acid Ligand

A novel Zn(Ⅱ) complex, [ZnL_2(H_2O)_4]·H_2O(1, HL = 2-(nicotinoyloxy)acetic acid), was synthesized using Zn(OAc)_2·2H_2O and 2-(nicotinoyloxy)acetic acid as raw materials. Its structure has been elucidated by elemental analysis, IR and single-crystal X-ray diffraction. The structural analysis revealed that complex 1 crystallizes in triclinic, space group P1 and the Zn(Ⅱ) atom is six-coordinated with two N atoms from two different 2-(nicotinoyloxy)acetate anion ligands and four O atoms from coordinated water molecules. Complex 1 forms a 3D network structure by O–H···O hydrogen bonds. The antitumor activities of 2-(nicotinoyloxy)acetic acid ligand and its Zn(Ⅱ) complex were evaluated against human lung adenocarcinoma A549 cells, human hepatoma SMMC-7721 cells and human colon carcinoma Wi Dr cells.     

Structures and Photoluminescent Properties of Two Complexes Based on Dipyrido[3,2-a:2?,3?-c]phenazine and 2,4?-Biphenyldicarboxylic Acid

ABSTRAC Two new complexes [Cd(2,4?-bpdc)(DPPZ)]_(2n)·n H_2O(1) and [Zn(2,4?-Hbpdc)_2(DPPZ)]· H_2O(DPPZ = dipyrido[3,2-a:2?,3?-c]phenazine, 2,4?-H_2bpdc = 2,4?-biphenyldicarboxylic acid) have been hydrothermally synthesized. The structure of complex 1 was determined by single-crystal X-ray diffraction diffraction and further characterized by elemental analysis, IR spectrum, powder X-ray diffraction(XRD) and single-crystal X-ray diffraction. Complex 1 has 1D chains, which are further connected by π-π stacking interactions of neighbouring chains, generating a steady 3D supramolecular structure. Complex 2 shows the isolated mononuclear units, which are further extended to a 2D supramolecular layered structure through π-π stacking interactions and hydrogen bonds. Furthermore, complexes 1 and 2 exhibit green photoluminescent properties at room temperature.     

Synthesis,Crystal Structure and Photophysical properties of a Novel Molecule Containing a Triarylamine and an Oxadiazole Units

2-{3-[2-（4-N,N-Di-p-tolylaminophenyl)ethenyl]phenyl}-5-(4-bromophenyl)-1,3,4-oxadiazole(1) containing triarylamine and 2,5-diaryl-1,3,4-oxadiazole units was prepared by hornerWitting reactions.The structure of the compound was confirmed by ^1H NMR,IR ,MS and elemental analyses.The crystal structure of 1 was determined by X-ray diffraction analysis.UV absorpiton spectra and photoluminescent spectra were measured.     

An Interpenetrated Three-dimensional Framework Sodium Lanthanide Carboxylate Based on[Ho_4（μ_3-OH）_4]~（8＋） Cluster

A novel sodium holmium carboxylate compound,namely Na 4 Ho 4 (μ 3-OH) 4 (1,4BDC) 6 ·6.25H 2 O (1,1,4-BDC=1,4-benzenedicarboxylate),has been solvothermally synthesized and structurally characterized.The structure features a two-fold interpenetrated three-dimensional open-framework constructed by the [Ho 4 (μ 3-OH) 4 ] 8+ clusters bridged by 1,4-BDC ligands.The Na + ions and lattice water molecules are located in the channels.The structure is further stabilized by hydrogen-bonding and π-π stacking interactions.The thermal stability of the compound has been investigated via thermogravimetric analysis.     

Synthesis,Structure,and Spectroscopic Studies of a Chiral Supramolecular Complex with Excellent Semiconductor Property

A novel chiral copper(Ⅱ) complex with racemic 1,2-diaminocyclohexane and iodide,[Cu(Ⅱ)(1,2-diaminocyclohexane)_3](I)_2·3H_2O(1) has been synthesized and structurally characterized by X-ray single-crystal diffraction,elemental analysis,infrared spectroscopy,Raman spectroscopy and thermogravimetric analysis. In complex 1,the CuⅡ ion was coordinated by six nitrogen atoms of three 1,2-diaminocyclohexane molecules. The structure of complex 1 can be described as a supramolecular 3D-like structure which was formed by intermolecular hydrogen-bonding interactions between mononuclear molecules,uncoordinated water molecules and two iodide anions. UV-vis absorption spectrum and surface photovoltage properties of complex 1 have also been studied.     

Structure and Semiconducting Character of a Polymeric Iodoplumbate Coordination Complex

A new polymeric iodoplumbate complex [Zn(DMF)6][Pb2I6] 1 has been prepared and characterized by elemental analysis and single-crystal X-ray analysis. Its structure contains infinite iodoplumbate chains constructed by the [PbI5] subunit. EHT crystal orbital calculation and the experimental results show that this material is an unconventional semiconductor and the electrical character is associated with its structural feature.     

A New Zn(Ⅱ) Coordination Polymer Constructed from 4-(1H-pyrazol-3-yl)pyridine as Fluorescent Sensor for Fe~(3+)

A new Zn(Ⅱ) coordination polymer, [Zn(4-PP)(1,4-BDC)?(H_2O)]_n(1, 4-PP = 4-(1 H-pyrazol-3-yl)pyridine, 1,4-H_2BDC = 1,4-benzenedicarboxylic acid), has been synthesized and structurally characterized by single-crystal X-ray diffraction as well as elemental analysis, IR spectra, XRPD and TG. Structural analysis reveals that Zn(Ⅱ) ions are bridged by COO-from 1,4-BDC~(2-)to form a binuclear structure as the second building units(SBUs). Zn_2 clusters can be clarified as 4-connected nodes, so the framework of 1 can be considered as a 2 D(44?62)-sql sheet. Fluorescence measurements show that 1 has highly selective and sensitive detection of Fe~(3+) in water medium.     

Synthesis and Cytotoxicity of the First Arene Ruthenium Compound Containing Two Thiosemicarbazone Ligands

A Ru-arene compound containing two thiosemicarbazone ligands [(η6-p-cymene)Ru(TSC)2 Cl]Cl(1, TSC = benzophenone 4-methylthiosemicarbazone) has been synthesized and characterized by 1 H NMR, elemental analysis and HR-ESI mass spectrometry analysis. The molecular structure was determined by single-crystal X-ray diffraction analysis. The in vitro anticancer activities of the complex have been evaluated against two human cancer cell lines(SGC-7901, BEL-7404), and the IC50 values are 32.5 and 57 μM, respectively.     

Synthesis,Crystal Structure and Antimicrobial Activity of Ethyl 2-（1-cyclohexyl-4-phenyl-1H-1,2,3-triazol-5-yl）-2-oxoacetate

A novel 1,4,5-trisubstituted 1,2,3-triazole(C18H21N3O3) was synthesized by a one-pot three component reaction of 1-azidocyclohexane, 1-copper(I) phenylethyne and ethoxalyl chloride at room temperature. The molecular structure was determined by single-crystal X-ray analysis. The compound crystallizes in the monoclinic system, space group P21/n with a = 12.8167(9), b = 8.0966(6), c = 16.7079(9) , β = 98.716(2)o, Z = 4 and V = 1713.8(2). In the crystal, the molecules are related by inversion and paired into dimers via C–H···O and C–O···C interactions involving(oxo) acetate groups. Furthermore, X-ray analysis results are compared with the optimized structure computed by using B3 LYP method with 6-311 G basis set. The calculated results showed that optimized geometry can well reproduce the crystal structure parameters. The bioassay results indicate that the compound has good antibacterial and antifungal activities.     

A New Cobalt(Ⅱ)Polymer Based on 1-Butylben-zimidazole and Terephthalate Mixed-ligands:Crystal Structure and Weak Interactions

<正>A new cobalt(Ⅱ)polymer with quasi-rectangular cavities,[Co(L)_2(TP)·H_2O]_n 1(L =1-butylbenzimidazole,TP=terephthalate ion)has been prepared by means of self-assembly of 1-butylbenzimidazole,terephthalic acid and Co(NO_3)_2·6H_2O.The structure of 1 was characterized by X-ray diffraction analysis.In the crystal packing,2-D supramolecular layers are formed viaπ-πstacking interactions.The fluorescence emission spectra of L and 1 are described.