Synthesis and Crystal Structure of a Cadmium Coordination Polymer with Dicyanamide and 1,2-Bis（1,2,4-triazol- 1-yl）ethane

The new cadmium(II) coordination polymer [Cd(bte)2(dca)2]n 1 (bte = 1,2-bis(1,2,4- triazol-1-yl)ethane, dca = dicyanamide) was synthesized and characterized by single-crystal X-ray diffraction. The crystal is of monoclinic, space group P21/n with a = 8.7148(15), b = 8.6142(17), c = 15.204(3) A, β = 92.100(10)o, V = 1140.6(4) A3, Z = 2, Mr = 572.87, Dc = 1.668 g/cm3, F(000) = 572, μ = 1.004 mm-1, the final R = 0.0654 and wR = 0.1429 for 1737 observed reflections (I > 2σ(I)). The cadmium atom is coordinated equatorially by four nitrogen atoms from four bte ligands and axially by two nitrogen atoms from two dca anions to adopt a distorted octahedral geometry. Each bte molecule bridges two cadmium(II) atoms. Two strands of bte molecules are wrapped around each other, and held together by cadmium(II) atoms. 1 Forms a double chain structure containing eighteen-membered Cd2(bte)2 rings.     

Syntheses,Structures and Characteristics of Two New Cu(Ⅱ) Coordination Polymers Based on 4-tert-butyl-phthalate and Different Bis(1,2,4-triazol-1-yl) Co-Ligands

Two new Cu(II) coordination polymers, [Cu2(tbph)2(btb)2]n(1) and {[Cu2(tbph)2-(bth)2]·H2O}n(2),(H2tbph = 4-tert-butyl-phthalic acid, btb = 1,4-bis(1,2,4-triazol-1- yl)butane, bth = 1,6-bis(1,2,4-triazol-1-yl)hexane), have been synthesized and characterized by elemental analysis, FT-IR and X-ray single-crystal diffraction. Complex 1 has a 2D sql layer. Complex 2 shows a(3,4)-connected 2D sheet with a(4.64.8)(4.82) topology. The thermal behavior of the two corresponding complexes has briefly been investigated.     

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.     

Two new 1-D and 3-D Wells–Dawson structures assisted by alkali metals

Two new Wells–Dawson based compounds containing alkali metals, [Ag(H₂biim)₂]₂·[Ag₅(H₂biim)₁₀Na₂(H₂O)₂(H_3/2P₂W₁₈O₆₂)₂]·12H₂O (1) and [Cd(H₂biim)₂?K(P₂W₁₈O₆₂)_1/2] (2) (H₂biim?=?2,2′-biimidazole), have been synthesized under hydrothermal conditions. In 1, two-supporting Wells–Dawson anions are linked by a [Ag(H₂biim)₂]⁺ subunit to form a dimer. The adjacent dimers are further connected by Na⁺ through (POM)O-Na-O(POM) bonds to build a 1-D chain. In 2, adjacent anions are linked by two [Cd₂(H₂biim)₂]⁴⁺ subunits and a 1-D chain is formed. Furthermore, the anion in the chain is fused by six K⁺ ions and a 3-D framework is obtained. The alkali metals exhibit crucial influence on the conversion of dimensionality assisting anions and Ag-H₂biim subunits to construct 1-D and 3-D frameworks. The electrochemical and photocatalytic properties of 1 and 2 have been investigated.     

Two Tetranuclear Zinc(Ⅱ) Coordination Polymers Based on 3,5-Bis(2-carboxylphenoxy)benzoic Acid with Highly Selective Sensing of Nitrobenzene

Two novel zinc(Ⅱ) coordination polymers, [Zn_2(BCB)(CH_3OH)(μ_3-OH)]n(1) and {[Zn_2(BCB)(μ_3-OH)(H_2O)_2]·CH_3OH}n (2), have been constructed from 3,5-bis(2-carboxylphenoxy)benzoic acid(H_3BCB) and characterized by elemental analysis(EA), IR, powder X-ray diffraction(PXRD), and thermogravimetric(TG) analyses. Structural analysis reveals that complexes 1 and 2 are both 1D polymeric chains with unprecedented tetranuclear {Zn_4(COO)_4(μ_3-OH)_2} clusters, which were further expanded into a 2D structure. Fluorescence measurements show that 1 and 2 have highly selective and sensitive detection of nitrobenzene.     

Aromatic Multicarboxylate Ligands Tuned One-and Three-dimensional Zn(Ⅱ) Coordination Polymers Based on 3-(1H-pyrazol-4-yl)-5-(pyridin-3-yl)-1,2,4-triazole

Two aromatic multicarboxylate ligands tuned Zn(Ⅱ) coordination polymers, namely, {[Zn_(0.5)(H_2L)(tp)_(0.5)(H_2O)]H_2O}_n(1) and {[Zn_2(HL)(btc)(H_2O)]H_2O}_n(2)(H_2L = 3-(1 Hpyrazol-4-yl)-5-(pyridin-3-yl)-1,2,4-triazole, H_2tp = terephthalic acid; H_3 btc = 1,3,5-benzenetricarboxylic) have been synthesized. Their structures were characterized by single-crystal X-ray diffraction analysis, elemental analyses and infrared spectra. Compound 1 possesses a one-dimensional chain structure and is finally extended into a three-dimensional supramolecular architecture though hydrogen bonding interactions. Compound 2 shows a three-dimensional framework. Meanwhile, compounds 1 and 2 exhibit luminescent emission in the solid, and can be investigated as potential luminescent materials.     

Syntheses,Structures, and Properties of Two Cobalt(Ⅱ) Coordination Complexes Based on(Fluorene-9,9-diyl) dipropanoic Acid and 1,3-Bis(imidazol-1-yl)butane Ligands

Two new cobalt(II) coordination complexes, namely [Co(HL)_2(biim)(H_2O)_2]_n·n H_2O(1) and [Co(Et L)_2(biim)]_n·3 n(H_2O)·2 n(Et HL)(2)(H_2L =(fluorene-9,9-diyl)dipropanoic acid, biim = 1,3-bis(imidazol-1-yl)butane), have been synthesized using the same starting reactants but different solvent medium. The two complexes exhibit distinctly different structures. Compound 1 exhibits a one-dimensional linear chain structure. However, complex 2 reveals a one-dimensional zigzag chain structure. Thermogravimetric analyses(TGA) and luminescent properties of these two complexes have been discussed.     

Synthesis and Crystal Structure of a Novel 3D Magnesium(II) Coordination Polymer Constructed by Flexible Benzene-1,4-dioxyacetate

1 INTRODUCTION The coordination chemistry of the alkaline-earth metals has remained a largely underdeveloped area[1, 2]to date. Also calcium(II) and magnesium(II) ions are the essentially biological elements and play an im- portant role in DNA and protein syntheses. Although the transition metal carboxylates have been widely in- vestigated[3, 4], the reports on magnesium complexes with carboxylate ligands are very rare[5]. The flexible phenylenedioxydiacetic acids (BDOAH2), especial…     

Syntheses and Crystal Structure of Erbium(Ⅲ) Coordination Polymers with Two Flexible Double Betaine Ligands

1INTR0DUCTI0NLanthanidecarboxylatecomplexeshavebeenwidelystudiedt1iandm0starefoundtoexhibitavarietyofdimericorinfinitechainstructures.Recentstudiesinourlaboratoryhavedem0nstratedthattheprototypetertiaryaminebetaine(Me,N CHzC0z-)anditsderivativesareusefulinthegenerationoflanthanidecarb0xylate-likecomplexeswithnewstructuralfeaturesduetotheiroverallchargeneutralityandpossibleinclusionofvariouskindsofcounteranionsinthestructuret2~4i.Thelan-thanidecomplexesisolatedsofarhavebeenfoundtobemononu…     

Two Co(Ⅱ) Coordination Polymers Based on 3,5-Di(4H-1,2,4-triazole-4-yl)benzoic Acid Ligand: Syntheses,Structures and Magnetic Property

Two Co(Ⅱ) coordination polymers, namely [Co(L)Cl]_n(1) and [Co(L)(CH_3 COO)]_n(2), {HL = 3,5-di(4 H-1,2,4-triazole-4-yl)benzoic acid}, were synthesized under hydrothermal conditions. Compound 1 crystallizes in orthorhombic system, space group Pmma with a = 7.032(5), b = 11.555(8), c = 8.185(5) ?, V = 665.1(7) ?~3, Z = 2, Dc = 1.746 g/cm3~, F(000) = 350, Mr = 349.61, μ = 1.504 mm~(-1), the final R = 0.0568 and w R = 0.1739 for 2312 observed reflections with I 2σ(I). Compound 2 crystallizes in orthorhombic system, space group Pmma with a = 7.7505(17), b = 11.391(3), c = 8.0298(18) ?, V = 708.9(3) ?~3, Z = 2, Dc = 1.748 g/cm~3, F(000) = 378, Mr = 373.20, μ = 1.245 mm-1, the final R = 0.0350 and w R = 0.0873 for 5239 observed reflections with I 2σ(I). Single-crystal X-ray analyses revealed that complexes 1 and 2 exhibit similar 2 D layer structures with uncoordinated carboxyl as dangling arms. The neighboring layers are further connected by these arms, leading to interest 2 D → 3 D polythreading frameworks. Moreover, the magnetic susceptibility study indicates compound 1 exhibits antiferromagnetic behavior.     

Synthesis,Crystal Structure and Antifungal Activity of a New Zn(Ⅱ) Complex Based on 4-(5-(Pyridin-3-yl)-4H-1,2,4-triazol-3-yl) Benzoic Acid

A new complex[Zn(3,4-APT)2(H2 O)4]·8 H2 O(1,3,4-HAPT=4-(5-(pyridin-3-yl)-4 H-1,2,4-triazol-3-yl)benzoic acid)has been prepared and characterized by elemental analysis,X-ray single-crystal diffraction analysis,thermogravimetric analysis and infrared spectrum analysis.Theoretical calculation based on density functional theory(DFT)is also employed to explicate frontier orbitals of 3,4-HAPT.X-ray single-crystal diffraction analysis reveals that 1 belongs to the triclinic system,space group P1 with a=7.5123(3),b=8.6745(3),c=15.2074(6)?,α=78.469(1),β=87.387(1),γ=65.448(1)°,V=882.42(6)?,Z=1,D_c=1.528 g·cm^–3,μ=0.780 mm^–1,M_r=812.09,F(000)=424,the final R=0.0401 and wR=0.1136.Zn(II)ion is coordinated by two N atoms from two 3,4-HAPT as well as four O atoms from four coordinated water molecules,forming a 0D motif with distorted octahedral coordinated geometry.The adjacent 0 D units are linked into a 3 D supramolecular structure through hydrogen bonding interaction.In addition,complex 1 exhibits better antifungal activity against Colletotrichum gloeosporioides Penz than the ligand and metal salt by MIC,MBC tests and Kirby-Bauer disc diffusion method which exhibit potential application in the antifungal fields.     

Two New Cu(Ⅱ) Coordination Polymers Based on 2,5-Furandicarboxylic Acid and 2,2'-bipyridine:Synthesis and Crystal Structure

Two new Cu(Ⅱ) coordination polymers,[Cu(FDA)(BPY)(H2O)]n(1) and {[Cu(FDA)(BPY)(H2O)]·2H2O}n(2)(H2FDA = 2,5-furandicarboxylic acid,BPY = 2,2-bipyridine),have been synthesized and structurally characterized by single-crystal X-ray diffraction as well as elemental analysis and IR.Compound 1 crystallizes in monoclinic,space group P21/c,with a = 7.5915(15),b = 8.4050(17),c = 24.204(6) ,β = 99.05(3)°,V = 1525.1(6) 3,Dc = 1.706 g/cm3,C16H12CuN2O6,Mr = 391.82,F(000) = 796,μ(MoKα) = 1.470 mm–1,Z = 4,R = 0.0633 and wR = 0.1059 for 2389 observed reflections(I 2σ(I)),R = 0.0738,and wR = 0.1098 for all data.Complex 2 belongs to triclinic space group P1 with a = 8.8660(18),b = 8.9112(18),c = 12.525(3) ,α = 88.41(3),β = 69.38(3),γ = 66.95(3)°,V = 845.2(3) 3,Dc = 1.681 g/cm3,C16H16CuN2O8,Mr = 427.85,F(000) = 438,μ(MoKα) = 1.342 mm–1,Z = 2,R = 0.0290 and wR = 0.0690 for 2767 observed reflections(I 2σ(I)),R = 0.0329 and wR = 0.0706 for all data.Complexes 1 and 2 are both coordination polymers with one-dimensional chain structures bridged by the protonated FDA ligands,which are assembled into three-dimensional supramolecular structures through hydrogen bonding interactions and π-π packing interactions between the chains.     

Simple and efficient synthesis of racemic 2-(tert-butoxycarbon-ylamino)-2-methyl-3-(1H-1,2,4-triazol-1-yl)propanoic acid, a new derivative of β-(1,2,4-triazol-1-yl)alanine

A simple synthetic approach to racemic N-tert-butyloxycarbonyl-2-methyl-3-(1H-1,2,4-triazol-1-yl)alanine (5) in four steps and 68% overall yield starting from oxazoline derivative 1 is reported. This synthesis involves the alkylation of 1H-1,2,4-triazole with an O-tosyloxazoline derivative, followed by an oxazoline ring-opening reaction and oxidation of the N-protected β?aminoalcohol by potassium permanganate.     

Synthesis and Crystal Structure of a Novel 1D Magnesium(II) Coordination Polymer Constructed by L-Cysteic Acid

A novel coordination polymer [Mg(L)(H2O)2]·H2O] (LH2 = L-cysteic acid) has been synthesized and characterized by elemental analysis, IR and single-crystal X-ray diffraction. The crystal crystallizes in orthorhombic system, space group P212121, with a = 5.962(3), b = 11.224(6), c = 13.664(7) , V = 914.3(8) 3, Z = 4, Mr = 245.50, Dc = 1.783 g/cm3, μ = 0.445 mm–1, flack parameter = 0.32(16), F(000) = 512, the final R = 0.0458 and wR = 0.1172 for 1578 observed reflections with I > 2σ(I). The Mg(II) atom shows an octahedral geometry defined by two carboxyl O atoms from two different L-cysteic acid ligands, one carboxyl O atom and one amino N atom from the adjacent ligand, and two aqua ligands. The Mg(II) atoms are bridged by L-cysteic acid ligands, leading to a 1D infinite zigzag chain. In the structure there are extensive hydrogen bonds, through which the complex completes its 3D framework structure.     

Synthesis and Crystal Structure of a Novel 1D Magnesium (Ⅱ) Coordination Polymer Constructed by L-Cysteic Acid

A novel coordination polymer [Mg(L)(H2O)2]·H2O] (LH2=L-cysteic acid) has been synthesized and characterized by elemental analysis, IR and single-crystal X-ray diffraction.The crystal crystallizes in orthorhombic system, space group P212121, with a=5.962(3), b=11.224(6), c=13.664(7)(A), V=914.3(8) (A)3, Z=4, Mr=245.50, Dc=1.783 g/cm3,μ=0.445 mm-1,flack parameter=0.32(16), F(000)=512, the final R=0.0458 and wR=0.1172 for 1578 observed reflections with I ＞ 2σ(Ⅰ). The Mg(Ⅱ) atom shows an octahedral geometry defined by two carboxyl O atoms from two different L-cysteic acid ligands, one carboxyl O atom and one amino N atom from the adjacent ligand, and two aqua ligands. The Mg(Ⅱ) atoms are bridged by L-cysteic acid ligands, leading to a 1D infinite zigzag chain. In the structure there are extensive hydrogen bonds,through which the complex completes its 3D framework structure.     

Hydrothermal Synthesis of Two 3D Lanthanide(Ⅲ) Organometallic Polymers in the 3,5-Pyridinedicarboxylate System with Different Coordination Architecture

Two coordination polymers of lanthanide complexes [(Dy)2(3,5-PDA)3(H2O)2]n 1 and [(Pr)2(3,5-PDA)3(H2O)3]n 2 (3,5-PDA = pyridine-3,5-dicarboxylate) have been synthesized under hydrothermal conditions. The prepared compounds were characterized by elemental analysis, IR and TG analyses and single-crystal X-ray structure determination. Complex 1 crystallizes in monoclinic, space group C2/c with a = 14.104(2), b = 11.1129(16), c = 15.086(2) , β =92.138(2)o, V = 2362.8(6) 3, Z = 4, C21H13Dy2N3O14, Mr = 856.34, Dc = 2.407 g·cm-3, F(000) = 1616, μ(MoKα) = 6.359 mm-1, the final R = 0.0422 and wR = 0.1016 for 2000 observed reflections with I 2σ(I). Complex 2 crystallizes in triclinic, space group P1 with a = 8.9441(13), b = 9.3959(14), c = 14.625(2), α = 98.065(2), β = 95.481(2), γ = 104.9130(10)o, V = 1164.7(3) 3, Z = 2, C21H15Pr2N3O15, Mr = 831.18, Dc = 2.370 g·cm-3, F(000) = 800, μ(MoKα) = 4.224 mm-1, the final R = 0.0355 and wR = 0.0731 for 4092 observed reflections with I 2σ(I). These polymers are constructed from the 3,5-PDA ligand but they exhibit different kinds of metal-organic framework structures. Complexes 1 and 2 are constructed from M-C-O zigzag corner-linked chains (M = Dy and Pr). In 1, the chains are composed of 8-coordinated DyIII centers, while the chains are made up of 8- and 9-coordinated PrIII centers in complex 2. These chains are cross-linked to each other by the pyridine rings of 3,5-PDA ligands, generating three-dimensional architectures. The magnetic behavior of compound 1 has been investigated, showing it exhibits antiferromagnetic interactions among the DyIII ions.a (Tianjin Key Laboratory of Structure and Performance for Functional Molecule, College of Chemistry and Life Science, Tianjin Normal University, Tianjin 300387, China) b (State Key Laboratory of Element-organic Chemistry, Nankai University, Tianjin 300071, China)     

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.     

Two Novel Cobalt(Ⅱ)/nickel(Ⅱ) Metal-organic Coordination Polymers Based on Flexible Polycarboxylic Acids and Rigid Bis(imidazole) Mix Ligands

Two novel metal-organic coordination compounds, [Co2(OH)(chdc)1.5(bibp)]n(1) and [Ni(chdc)(bib)]n·2nH2O(2, H2chdc=1,4-cyclohexanedicarboxylic acid, bibp=4,4’-bis(1-imidazolyl)biphenyl, bib=1,4-bis(1-imidazolyl)benzene), were synthesized and characterized. Compound 1 crystallizes in monoclinic system, space group PI with a=10.591(3), b=11.146(3), c=12.264(3) ?, α=89.009(6), β=88.397(4), γ=87.823(3)°, V=1446.0(6) ?3, Dc=1.554 g/cm3, C30H30Co2N4O7, Mr=676.44, F(000)=696, μ(MoKα)=1.202 mm-1, Z=2, R=0.0278 and wR=0.0718. In 1, it contains an interesting tetranuclear Co(Ⅱ) cluster. The neighboring {Co4} clusters are linked by chdc2-ligands to generate a 2D network. The bibp ligands connect adjacent layers to form an open 3 D metal-organic framework. Compound 2 crystallizes in monoclinic system, space group P21/n with a=8.8110(1), b=19.369(1), c=12.7379(4) ?, β=102.952(5)o, V=2118.5(2) ?3, Dc=1.490 g/cm3, C20H24N4NiO6, Mr=475.14, F(000)=992, μ(MoKα)=0.961 mm-1, Z=4, R=0.0306 and wR=0.0738. In 2, each deprotonated chdc 2-ligand links two Ni(Ⅱ) atoms to generate a 1 D chain along the a axis. The adjacent chains are further connected by bib ligands to build up an interesting two-dimensional network. Compound 1 shows antiferromagnetic property.