Synthesis,Structure and Fluorescence of Olefin-Copper(Ⅰ) Coordination Polymers

The organic olefin ligand 2,5-dimethyl-1-(4-vinyl-benzyl)-piperazine reacts with CuX(X = Cl, Br) to obtain two novel olefin-copper(I) coordination polymers [C_(15)H_(22)N_2Cu_2Cl_3]n(1) and [C_(15)H_(20)N_2Cu_2Br_2]n(2). There are two types of CuX warp structures that have never been seen before in the presence of methanol under solvothermal conditions. The new olefin-copper(I) coordination complex crystallizes in the monoclinic space group P21/c to obtain compounds 1 and 2. Its unique green fluorescence effect can be applied to the LED field.     

Synthesis,Crystal Structure and Luminescence of One-dimensional Homochiral Terbium (Ⅲ) Coordination Polymers

Enantiomerically pure lanthanide(Ⅲ)-based phosphonates are successfully synthesized by using(R)-or(S)-(1-phenylethylamino)-methylphosphonate acid(pempH_2), namely, R-or S-[Tb_3(pempH_2)_2(pempH)_7]-Cl_2·H_2O(R-Tb or S-Tb), crystallizing in chiral space group P2_12_12_1. Compound R-Tb shows a one-dimensional homochiral triple-stranded helical chain structure where the Tb(III) atoms are bridged by O-P-O units and μ_3-O(P) bridge. The thermal analysis, photoluminescence as well as optically active properties of compounds R-Tb and S-Tb have also been investigated.     

Synthesis,Crystal Structure and Fluorescent Properties of a Cadmium(Ⅱ) Complex with 3-(Pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole

Compound [Cd_(1.5)(ppt)Br_2(H_2O)]_(2n)(1),where Hppt = 3-(pyridin-4-yl)-5-(pyrazin-2-yl)-1H-1,2,4-triazole,has been synthesized under hydrothermal conditions and characterized by elemental analysis,IR spectra,powder XRD,and X-ray diffraction.Compound 1 crystallizes in the triclinic system,space group P1 with a = 7.4402(6),b = 8.0570(7),c = 12.8674(11) ?,α = 89.7300(10),β = 89.8570(10),γ = 68.3910(10)°,V = 717.13(10) ?3,Z = 1,Dc = 2.638 g/cm3,μ = 7.824 mm~(-1),F(000) = 534,the final R = 0.0324 and w R = 0.1084 for 2324 observed reflections with I 2σ(I).X-ray diffraction analyses revealed that complex 1 is a 2D layered coordination polymer constructed from the linkage of [Cd_3(μ-Br)_4] trinuclear units with ppt-spacers,and a 3D supramolecular architecture is further assembled in 1 via hydrogen-bonding contacts.Fluorescence measurements show that 1 has medium fluorescent emission at 450 nm.     

A One-dimensional Cd(Ⅱ) Coordination Polymer Constructed from 1,4-Benzene-dicarboxylic Acid and 3-(2,6-Di(pyrazin-2-yl)pyridin-4-yl)-1H-indole:Synthesis,Structure and Photoluminescence

A new coordination polymer {[Cd(C_(21)H_(14)N_6)(C_8H_4O_4)]·H_2O}_n(1) was synthesized by an elaborate design via the reaction of 3-(2,6-di(pyrazin-2-yl)pyridin-4-yl)-1H-indole(bppi),1,4-benzene-dicarboxylic acid(H2bdc) and cadmium(Ⅱ) nitrate in CH_3OH/H_2O mixed solvents. Complex 1 crystallizes in orthorhombic,space group Ccca with a = 20.012(4),b = 31.881(6),c = 19.808(4) ?,V = 12638(4) ?~3,Z = 16,C_(29)H_(20)CdN_6O_5,M_r = 644.91,D_c = 1.356 g·cm~(-3),μ = 0.735 mm~(-1),F(000) = 5184,GOOF = 1.046,the final R = 0.0405 and wR = 0.1063 for 6870 observed reflections(I 2σ(I)). The Cd(Ⅱ) centre is hepta-coordinated by three N and four O atoms from one bppi terminal ligand and two bdc2– ligands,respectively,displaying a capped trigonal prism geometry. Structure extension gives coordination polymeric chains,in which the bdc2– linkers connect Cd(Ⅱ) cations into a one-dimensional(1D) coordination polymer along the c axis,giving zigzag chains with the Cd···Cd separation of 11.178(1) ?. The adjacent bppi terminal ligands in the chains are anti-periplanar conformation. The three-dimensional(3D) structure is stabilized by π···π stacking and hydrogen-bonding interactions to form a supramolecular self-penetrating network with 1D channels. In 1,there are voids 2999.7 ?~3 with 23.7% of per unit cell volume. Thermal analysis indicates that the framework of 1 is stable until 651 K and the photoluminescence of 1 in the solid shows very weak fluorescence at 382 and 560 nm upon excitation at 310 nm.     

Synthesis and Structure of 2-(1Н-Indol-1-yl)-6-ferrocenyl-4-(2-chloroimidazo[1,2-a]pyridin-3-yl)pyrimidine

A 2,4,6-trisubstituted pyrimidine including a 2-(1H-indol-1-yl) substituent was synthesized by the reaction of 1-ferrocenyl-3-(2-chloroimidazo[1,2-a]pyridin-3-yl)propanone with 2,5-dimethoxytetrahydrofuran. The structure of the synthesized compound was confirmed by IR and ¹Н NMR spectroscopy, and X-ray diffraction analysis. It has been shown that the ferrocene-containing compounds synthesized in the present work all demonstrate intramolecular charge transfer which is evidenced by the observation of the corresponding absorption bands with λ ^abs_max > 480 nm. The oxidation potential of ferrocene (E ^Fc_ox ) in all the compounds is higher than 700 mV.

     

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…     

Two New Zn(Ⅱ) and Co(Ⅱ) Coordination Polymers Constructed by 4-Bromobenzoic Acid and 1,4-Bis(imidazol-1-yl)-butane: Synthesis,Crystal Structure and Theoretical Calculations

Two new coordination polymers, [Zn(bba)_2(bib)]_(2n)(1) and [Co_(0.5)(bba)(bib)_(0.5)]_(2n)(2)(Hbba = 4-bromobenzoic acid, bib = 1,4-bis(imidazol-1-yl)-butane), have been hydrothermally designed and synthesized, and their structures were determined by elemental analyses, IR spectroscopy, TG, fluorescence spectroscopy, X-ray single-crystal and powder diffraction. Complexes 1 and 2 both belong to the monoclinic system and exhibit one-dimensional zigzag chain-like structure. In addition, we analyzed Natural Bond Orbital(NBO) in using the PBE0/LANL2 DZ method built in Gaussian 03 Program. The calculation results indicated the obvious covalent interaction between the coordinated atoms and Zn(Ⅱ), Co(Ⅱ) ions.     

Metal–organic Coordination Polymers Assembled from Divalent Transition Salts with a Flexible Spacer Ligand: Hydrothermal Syntheses,Crystal Structures,and Luminescent and Magnetic Properties

Seven new metal-organic coordination polymers, [M(tzda)(H₂O)₄] _n [M = Co(1), Ni (2) and Zn(3)], [Zn(tzda)(4,4′-bipy)] _n (4), [Cd(tzda)(4,4′-bipy)_0.5(H₂O)] _n (5) and [M(tzda)(4,4′-bipy)(H₂O)] _n [M = Co(6), Ni(7)] [H₂tzda = (1,3,4-thiadiazole-2,5-diyldithio)diacetic acid, 4,4′-bipy = 4,4′-bipyridine] have been hydrothermally synthesized and structurally characterized by X-ray single crystal diffraction. Compounds 1–3 display similar 1D zigzag chain structure. Compound 4 possesses a 2D-layered architecture generated from [Zn(tzda)] _n moiety with double-chain structure cross-linking 4,4′-bipy spacers, while compound 5 consists of –Cd–OCO–Cd–OCO– chains cross-linked through –CH₂SC₂N₂SSCH₂– spacers of tzda anions and 4,4′-bipy, also showing a 2D-layered structure. The structures of 6 and 7 seem more complicated, in which the [M(tzda)] _n layered subunits are extended to unique 3D framework by the bridging 4,4′-bipy ligand. Photoluminescence investigations reveal that 4 and 5 both display strong blue emissions in the solid state at room temperature, which could be significant in the field of luminescent materials. The magnetic studies of 6 and 7 show both display the characteristics of a weak antiferromagnetic coupling between metal ions in the system mediated by carboxylate bridges.     

Synthesis,Crystal Structure and Properties of a New Cd(Ⅱ) Complex Based on Mixed 5-Hydroxy-isophthalic Acid and 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene Ligands

A new coordination polymer [Cd2(5-IPA)(HL)2(H2O)2]·4H2O(1) was prepared under hydrothermal conditions based on 5-hydroxy-isophthalic acid(5-H2IPA) with multi-N-donor ligand 1-(1H-imidazol-4-yl)-3-(4H-tetrazol-5-yl)benzene(H2L). The complex was characterized by IR spectroscopy, TGA, X-ray powder and single-crystal diffraction. It crystallizes in the monoclinic system, space group C2/c with a = 23.6291(18), b = 9.9847(8), c = 17.7244(14) ?, β = 124.6180(10)?, V = 3441.4(5) ?3, Z = 4, C28H30N12O11Cd2, Mr = 935.44, Dc = 1.805 g/cm3, μ = 1.313 mm-1, S = 1.055, F(000) = 1864, the final R = 0.049 and w R = 0.1315 for 2985 observed reflections(I 2σ(I)). The central metal Cd(II) atoms with octahedral coordination geometry are six-coordinated by three oxygen and three nitrogen atoms. The HL- ligands from the deprotonated H2 L connect Cd(II) atoms to form two-dimensional(2D) double-layer fes networks which are further pillared by 5-IPA2- ligands into a rare binodal(3, 4)-connected three-dimensional(3D) architecture with a(4·6·8)(4·62·83) fsc-3,4-C2/c topology. Solid state luminescent property and sorption property of 1 have been investigated.     

Synthesis,Structure,and Surface Photo-electric Properties of a New Zn(Ⅱ) Coordination Complex Constructed from 2-(1H-benzotriazol-1-yl)acetic Acid and 1,10-Phenanthroline Ligands

A new binuclear Zn~Ⅱ coordination complex,Zn_2(bta)(phen)_2(Cl)_3(1,Hbta = 2-(1Hbenzotriazol-1-yl)acetic acid and phen = 1,10-phenanthroline),has been synthesized and characterized by single-crystal X-ray diffraction,IR spectroscopy,elemental,and photoluminescent analysis.Complex 1 crystallizes in triclinic system,space group P1 with a = 9.3040(19),b = 10.694(2),c =16.841(3) ?,α = 101.18(3),β = 105.77(3),γ = 91.72(3)°,V= 1575.8(5) ?~3,C_(32)H_(22)Zn_2Cl_3N_7O_2,M_r =773.66,D_c = 1.631 g/cm~3,Z = 2,F(000) = 780,μ = 1.820 mm~(-1),the final R = 0.1238 and wR =0.1131.X-ray diffraction analyses indicate that 1 displays two crystallographic independent Zn~Ⅱmetal centers with a distorted tetragonal pyramidal(ZnN_4O) and a tetrahedral(ZnNCl_3) geometries,respectively.The phen serves as a common N,N'-bidentate ligand,and the bta~- as a unique N,O-bridged ligand in 1.In the crystal,1 forms a stable 3D supramolecular architecture by trifurcated hydrogen bonding C-H…C1 interactions and C-H…π,π…π stacking.1 showed photo-electric conversion properties.     

Synthesis, Crystal Structure and Magnetic Properties of a Novel Azide-bridged Copper（Ⅱ） Coordination Polymers Containing Nitroxy Nitroxide

A novel azide-bridged copper(Ⅱ) coordination polymer, [Cu3(NITpPy)4(N3)6]n (NITpPy = 4-pyridyl-4,4,5,5-tetramethylimidazline-3-oxide-1-oxyl), was structurally and magnetically characterized. It crystallizes in the triclinic space group P with a = 7.6932(10), b = 14.5556(19), c = 16.122(2) , α = 108.443(2), β = 95.251(2), γ = 104.236(2)°, V = 1631.7(4) 3, C48H64Cu3N30O8, Mr = 1379.87, Z = 1, Dc = 1.404 g/cm3, μ(MoKα) = 1.041 mm-1, F(000) = 713, the R = 0.0510 and wR = 0.1185 for 4285 observed reflections with I > 2σ(I). X-ray analysis reveals that the Cu(Ⅱ) ions are linked by nitrogen atom of μ1,1 azido ligands to form a Cu-Cu-Cu unit. The units are linked by μ1,3 azido ligands through a bridging style to form a one-dimensional coordination polymer. The variable-temperature magnetic susceptibility data of the complex show ferromagnetic interactions in the complex.     

Synthesis,Crystal Structure and Properties of a 3-Fold Interpenetrating 3D Cd(Ⅱ) Complex Derived from 4-(2-Methyl-1H-imidazol-1-yl)benzoic Acid

A new Cd~Ⅱ coordination complex,namely [Cd(iba)_2]_n(1),was prepared by the hydrothermal reaction of Cd(NO_3)_2·4H_2O with 4-imidazol-1-yl-benzoic acid(Hiba). Single-crystal X-ray diffraction analysis shows that compound 1 crystallizes in monoclinic system,space group Cc with a = 11.403(4),b = 30.480(9),c = 7.732(3) ?,β = 130.189(4)o,V = 2503.0(1) ?~3,Z = 4,C_(22)H_(18)CdN_4O_4,Mr = 514.80,Dc = 1.666 g/cm~3,F(000) = 1032 and μ(Mo Kα) = 1.101 mm-1. The final R and wR are 0.0573 and 0.1823 for 4421 observed reflections with I 2σ(I). Each iba-ligand coordinates in a bidentate fashion,connecting the Cd(Ⅱ) atoms to form a 2D wave-shape layer structure,which can be simplified as a four-connected topological net. Interestingly,the 2D layers are further extended into a 3-fold interpenetrating 3D architecture. Compound 1 displays an emissive maximum at 455 nm in the solid state at room temperature and a response of the second harmonic generation(SHG) activity is approximately 0.8 times that of KDP.     

4-Tert-butyl-N?-((2-Hydroxynaphthalen-1-yl)methylene) Benzohydrazide: Synthesis,Crystal Structure and Recognition Properties

A new naphthol-based compound 1, C22 H_22 N2 O2, has been designed and synthesized. The structure of the title compound 1 was confirmed by IR, ~1 H NMR, ~(13) C NMR, H RMS, and X-ray single-crystal diffraction. The crystal belongs to the monoclinic system, space group P2_1/c, with a = 12.888(9), b = 15.543(10), c = 9.119(6) ?, β = 94.05(3)°, V = 1822(2) ?~3, Z = 4, D_c = 1.263 g/cm~3, M_r = 346.41, μ = 0.081 mm-1, F(000) = 736.0, the final R = 0.0452 and wR = 0.1142 for 3404 observed reflections with(I 2σ(I)). The crystal structure of 1 is stabilized by O–H···N, N–H···O, C–H···O hydrogen bonds and π-π interactions. The spectroscopic studies of 1 toward various metal ions were also investigated in 25%(V/V) ethanol aqueous solution, and the result showed that it can selectively recognize Zn~(2+) with fluorescence enhancement.     

Synthesis,Crystal Structure and Fluorescent Property of a Zn(Ⅱ) Complex with 1,3-Bis(imidazol-1-yl)benzene and 1,3-Benzenedicarboxylate

A novel zinc complex [Zn(BIB)(bdc)]n(1, BIB = 1,3-bis(imidazol-1-yl)benzene, bdc = 1,3-benzenedicarboxylate) has been synthesized in solvothermal conditions. The title complex was characterized by elemental analysis, IR spectra, thermal analysis, single-crystal and powder X-ray diffraction. The result proved that the alliance of BIB and aromatic carboxylic acids is good for the diversity of getatable structure. Complex 1 crystallizes in the monoclinic system of P2/c space group with a = 11.5591(10), b = 9.6239(8), c = 33.727(3) ?, β = 103.816(3)°, V = 3643.4(5) ?3, Z = 8, μ = 1.385 mm-1, F(000) = 1792, Dc = 1.603 g/cm3 and Mr = 439.72 g/mol. Additionally, luminescent properties of complex 1 are also investigated and it shows good fluorescence.     

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

IntroductionBoth triazole derivatives and Schiff base have beenreported to possess significant antifungal[1—3]and plantgrowth regulatory activities[4—6].Triazole drugs are alsovery common in the medical field,which has given animmense impetus to the res…     

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

IntroductionBoth triazole derivatives and Schiff base are repor-ted to possess significant antifungal and plant-growthregulatory activities[1—6].Further,triazole drugs are al-so very common in the medical field.These give a greatimpetus to the research for potential pharmacologicallyactive Schiff base containing triazole.In order to search for newtriazole compounds withhigher biological activity,the title compound was syn-thesized and its biological activities were tested.Also,its structure…     

Synthesis and Crystal Structure of a Cobalt（Ⅱ） Coordination Polymer with Benzene-1,3,5-triacetate and 1,4-Di（1H-imidazol-1-yl）benzene

A novel coordination polymer, [Co3 (bta)2(dib)2]·4H2O (1, H3bta=benzene-1,3,5-triacetic acid, and dib=1,4-di(1H-imidazol-1-yl)benzene), has been hydrothermally prepared and characterized by IR spectroscopy, elemental analysis and single-crystal X-ray diffraction. The crystal is of triclinic system, space group Pī, with a=9.141(2), b=9.667(2), c=13.855(2), α=100.83(3), β=90.81(3), γ=100.94(3)°, V=1179.0(4)3 , C48H46N8O16Co3 , Mr=1167.72, Dc=1.645 g/cm 3 , F(000)=599, μ=1.127 mm-1 and Z=1. The final R=0.0634 and wR=0.1703 for 4291 observed reflections (I > 2σ(I)). In the title complex, the bta ligand acts as a four-dentate bridging ligand to link up cobalt atoms into a lamellar framework, which are further interlinked by the dib ligands to generate a binodal (3,8)-connected tfz-d net.     

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-(1 H -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.     

Syntheses,Structures and Characterizations of Two New Zinc(Ⅱ) Coordination Polymers Constructed from 3-(1H-Pyrazol-4-yl)-5-(pyridin-2-yl)-1,2,4-triazole and Different Carboxylate Ligands

Two new zinc(Ⅱ) coordination polymers, [Zn(ph)(H2 L)·H_2O]2 n(1) and [Zn(ip)(H2 L)-(H_2O)]n(2)(H2 ph = phthalic acid, H2 ip = isophthalic acid, H2L = 3-(1 H-pyrazol-4-yl)-5-(pyridin-2-yl)-1,2,4-triazole), have been successfully synthesized via hydrothermal reaction. It has been structurally characterized by X-ray single-crystal analysis, IR spectra, fluorescence spectroscopy and thermogravimetry analysis. The single-crystal X-ray diffraction studies reveal that compounds 1 and 2 both exhibit 1D chain structures, and assemble into 2D and 3D supermolecules through hydrogen bonds or π-π interactions. Moreover, the thermal stability and luminescent properties of compounds 1 and 2 were also studied.