Synthesis and crystal structures of two coordination polymers and a binuclear cadmium(II) complex containing 3- and 4-aminobenzoate ligands

2015 ◽  
Vol 71 (8) ◽  
pp. 673-678 ◽  
Author(s):  
Dong-Mei Zhou ◽  
Xiao-Lan Zhao ◽  
Feng-Yi Liu ◽  
Jun-Feng Kou
Keyword(s):  
Hydrogen Bonds ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Chain Structure ◽  
Complex Iii ◽  
One Dimensional ◽  
Binuclear Molecule ◽  
Wide Range ◽  
Anionic Ligands ◽  
Metal Organic

Due to their wide range of coordination modes and versatile conformations when binding to metal atoms, multicarboxylate ligands are of interest in the design of metal–organic frameworks (MOFs). Three CdIIcomplexes, namelycatena-poly[diammonium [[chloridocadmium(II)]-di-μ-chlorido-[chloridocadmium(II)]-bis(μ-3-aminobenzoato)-κ3N:O,O′;κ3O,O′:N]], {(NH4)[CdCl2(C7H6NO2)]}n, (I),catena-poly[[[aquacadmium(II)]-bis(μ-4-aminobenzoato)-κ3N:O,O′;κ3O,O′:N] monohydrate], {[Cd(C7H6NO2)2(H2O)]·H2O}n, (II), and di-μ-acetato-κ4O:O′-bis[(4-aminobenzoato-κ2O,O′)(2,2′-bipyridine-κ2N,N′)cadmium(II)], [Cd2(CH3COO)2(C7H6NO2)2(C10H8N2)2], (III), with different stuctural forms are reported. Complex (I) has a one-dimensional ladder structure, with strong N—H...O and weak N—H...Cl hydrogen bonds linking the cations and anions in the three-dimensional supramolecular structure. Complex (II) has a one-dimensional chain structure. Extensive O—H...O and N—H...O hydrogen bonds between the anionic ligands and the solvent water molecules and π–π stacking interactions between the centroids of the benzene rings lead to the three-dimensional supramolecular structure. Complex (III) is a binuclear molecule which is extended into a three-dimensional supramolecular structureviastrong N—H...O and weak C—H...O hydrogen bonds.

Complexes of nickel(II) and copper(II) with 1,2,4-triazole-3-carboxylic acid and of cobalt(III) with 3-amino-1,2,4-triazole-5-carboxylic acid

2017 ◽  
Vol 73 (11) ◽  
pp. 1010-1016 ◽  
Author(s):  
Feng-Yi Liu ◽  
Dong-Mei Zhou ◽  
Xiao-Lan Zhao ◽  
Jun-Feng Kou
Keyword(s):  
Carboxylic Acid ◽  
Transition Metal ◽  
Hydrogen Bonds ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Chain Structure ◽  
Dinuclear Complex ◽  
Compound I ◽  
Wide Range ◽  
Compound Ii

Because of their versatile coordination modes and strong coordination ability for metals, triazole ligands can provide a wide range of possibilities for the construction of metal–organic frameworks. Three transition-metal complexes, namely bis(μ-1,2,4-triazol-4-ide-3-carboxylato)-κ3 N 2,O:N 1;κ3 N 1:N 2,O-bis[triamminenickel(II)] tetrahydrate, [Ni2(C3HN3O2)2(NH3)6]·4H2O, (I), catena-poly[[[diamminediaquacopper(II)]-μ-1,2,4-triazol-4-ide-3-carboxylato-κ3 N 1:N 4,O-[diamminecopper(II)]-μ-1,2,4-triazol-4-ide-3-carboxylato-κ3 N 4,O:N 1] dihydrate], {[Cu2(C3HN3O2)2(NH3)4(H2O)2]·2H2O} n , (II), (μ-5-amino-1,2,4-triazol-1-ide-3-carboxylato-κ2 N 1:N 2)di-μ-hydroxido-κ4 O:O-bis[triamminecobalt(III)] nitrate hydroxide trihydrate, [Co2(C3H2N4O2)(OH)2(NH3)6](NO3)(OH)·3H2O, (III), with different structural forms have been prepared by the reaction of transition metal salts, i.e. NiCl2, CuCl2 and Co(NO3)2, with 1,2,4-triazole-3-carboxylic acid or 3-amino-1,2,4-triazole-5-carboxylic acid hemihydrate in aqueous ammonia at room temperature. Compound (I) is a dinuclear complex. Extensive O—H...O, O—H...N and N—H...O hydrogen bonds and π–π stacking interactions between the centroids of the triazole rings contribute to the formation of the three-dimensional supramolecular structure. Compound (II) exhibits a one-dimensional chain structure, with O—H...O hydrogen bonds and weak O—H...N, N—H...O and C—H...O hydrogen bonds linking anions and lattice water molecules into the three-dimensional supramolecular structure. Compared with compound (I), compound (III) is a structurally different dinuclear complex. Extensive N—H...O, N—H...N, O—H...N and O—H...O hydrogen bonding occurs in the structure, leading to the formation of the three-dimensional supramolecular structure.

Synthesis, crystal structures and magnetic characterisation of two 2p–3d metallic coordination polymers

2017 ◽  
Vol 41 (6) ◽  
pp. 365-369 ◽  
Author(s):  
Chongchong Xue ◽  
Jingwen Shi ◽  
Daopeng Zhang
Keyword(s):  
Magnetic Susceptibility ◽  
Coordination Polymers ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Building Blocks ◽  
Chain Structure ◽  
X Ray Diffraction ◽  
One Dimensional ◽  
X Ray ◽  
Dimensional Network

The coordination polymers {Mg[Fe(L)(CN)5]}n·0.5nH2O and {MgCu2(CH3COO)6}n [L = bis( N-imidazolyl)methane] have been synthesised. X-ray diffraction revealed that {Mg[Fe(L)(CN)5]}n·0.5nH2O has a one-dimensional neutral chain structure consisting of alternating [Mg(L)2(H2O)2)]2+ species and [Fe(L)(CN)5]2– building blocks, which can be further linked into a three-dimensional supramolecular structure by inter-chain p–p interactions. {MgCu2(CH3COO)6}n has a three-dimensional network with the [MgCu2(CH3COO)6] unit as neutral core extended by Mg–O bonds. Magnetic susceptibility studies on {MgCu2(CH3COO)6}n revealed antiferromagnetic interactions between adjacent Cu(II) ions.

Supramolecular architectures in CoIIand CuIIcomplexes with thiophene-2-carboxylate and 2-amino-4,6-dimethoxypyrimidine ligands

2016 ◽  
Vol 72 (5) ◽  
pp. 442-450 ◽  
Author(s):  
Ammasai Karthikeyan ◽  
Packianathan Thomas Muthiah ◽  
Franc Perdih
Keyword(s):  
Hydrogen Bonds ◽  
Water Molecule ◽  
Coordination Polymers ◽  
Three Dimensional ◽  
Functional Materials ◽  
Supramolecular Architecture ◽  
Dinuclear Copper ◽  
One Dimensional ◽  
Wide Range ◽  
The One

The coordination chemistry of mixed-ligand complexes continues to be an active area of research since these compounds have a wide range of applications. Many coordination polymers and metal–organic framworks are emerging as novel functional materials. Aminopyrimidine and its derivatives are flexible ligands with versatile binding and coordination modes which have been proven to be useful in the construction of organic–inorganic hybrid materials and coordination polymers. Thiophenecarboxylic acid, its derivatives and their complexes exhibit pharmacological properties. Cobalt(II) and copper(II) complexes of thiophenecarboxylate have many biological applications, for example, as antifungal and antitumor agents. Two new cobalt(II) and copper(II) complexes incorporating thiophene-2-carboxylate (2-TPC) and 2-amino-4,6-dimethoxypyrimidine (OMP) ligands have been synthesized and characterized by X-ray diffraction studies, namely (2-amino-4,6-dimethoxypyrimidine-κN)aquachlorido(thiophene-2-carboxylato-κO)cobalt(II) monohydrate, [Co(C5H3O2S)Cl(C6H9N3O2)(H2O)]·H2O, (I), andcatena-poly[copper(II)-tetrakis(μ-thiophene-2-carboxylato-κ2O:O′)-copper(II)-(μ-2-amino-4,6-dimethoxypyrimidine-κ2N1:N3)], [Cu2(C5H3O2S)4(C6H9N3O2)]n, (II). In (I), the CoIIion has a distorted tetrahedral coordination environment involving one O atom from a monodentate 2-TPC ligand, one N atom from an OMP ligand, one chloride ligand and one O atom of a water molecule. An additional water molecule is present in the asymmetric unit. The amino group of the coordinated OMP molecule and the coordinated carboxylate O atom of the 2-TPC ligand form an interligand N—H...O hydrogen bond, generating anS(6) ring motif. The pyrimidine molecules also form a base pair [R22(8) motif]viaa pair of N—H...N hydrogen bonds. These interactions, together with O—H...O and O—H...Cl hydrogen bonds and π–π stacking interactions, generate a three-dimensional supramolecular architecture. The one-dimensional coordination polymer (II) contains the classical paddle-wheel [Cu2(CH3COO)4(H2O)2] unit, where each carboxylate group of four 2-TPC ligands bridges two square-pyramidally coordinated CuIIions and the apically coordinated OMP ligands bridge the dinuclear copper units. Each dinuclear copper unit has a crystallographic inversion centre, whereas the bridging OMP ligand has crystallographic twofold symmetry. The one-dimensional polymeric chains self-assembleviaN—H...O, π–π and C—H...π interactions, generating a three-dimensional supramolecular architecture.

A sulfur coordination polymer with wide bandgap semiconductivity formed from zinc(II) and 5-methylsulfanyl-1,3,4-thiadiazole-2-thione

2019 ◽  
Vol 75 (9) ◽  
pp. 1243-1249
Author(s):  
Jun Zhang ◽  
Xiaofan Ma ◽  
Weili Kong ◽  
Fazhi Xie ◽  
Shizhen Yuan ◽  
...  
Keyword(s):  
Coordination Polymer ◽  
Hydrogen Bonds ◽  
Three Dimensional ◽  
Chain Structure ◽  
The Other ◽  
Linear Temperature Dependence ◽  
Linear Temperature ◽  
One Dimensional ◽  
Hydrogen Bond Interactions ◽  
The One

The sulfur coordination polymer catena-poly[zinc(II)-μ2-bis[5-(methylsulfanyl)-2-sulfanylidene-2,3-dihydro-1,3,4-thiadiazol-3-ido-κ2 N 3:S]], [Zn(C3H3N2S3)2] n or [Zn2MTT4] n , constructed from Zn2+ ions and 5-methylsulfanyl-1,3,4-thiadiazole-2-thione (HMTT), was synthesized successfully and structurally characterized. [Zn2MTT4] n crystallizes in the tetragonal space group I\overline{4} (No. 82). Each MTT− ligand (systematic name: 5-methylsulfanyl-2-sulfanylidene-2,3-dihydro-1,3,4-thiadiazol-3-ide) coordinates to two different ZnII ions, one via the thione group and the other via a ring N atom, with one ZnII atom being in a tetrahedral ZnS4 and the other in a tetrahedral ZnN4 coordination environment. These tetrahedral ZnS4 and ZnN4 units are alternately linked by the organic ligands, forming a one-dimensional chain structure along the c axis. The one-dimensional chains are further linked via C—H...N and C—H...S hydrogen bonds to form a three-dimensional network adopting an ABAB-style arrangement that lies along both the a and b axes. The three-dimensional Hirshfeld surface analysis and two-dimensional (2D) fingerprint plots confirm the major interactions as C—H...S hydrogen bonds with a total of 35.1%, while 7.4% are C—H...N hydrogen-bond interactions. [Zn2MTT4] n possesses high thermal and chemical stability and a linear temperature dependence of the bandgap from room temperature to 270 °C. Further investigation revealed that the bandgap changes sharply in ammonia, but only fluctuates slightly in other solvents, indicating its promising application as a selective sensor.

A one-dimensional cadmium metal–organic chain based on a [Cd4(COO)4] secondary building unit and a flexible dicarboxylic acid ligand

2013 ◽  
Vol 69 (10) ◽  
pp. 1147-1151
Author(s):  
Yong-Kai Deng ◽  
Zhi-Hao Yan ◽  
Di Sun
Keyword(s):  
Hydrogen Bonds ◽  
Dicarboxylic Acid ◽  
Three Dimensional ◽  
Solvothermal Reaction ◽  
Supramolecular Framework ◽  
Secondary Building Unit ◽  
One Dimensional ◽  
Acid Ligand ◽  
Cadmium Metal ◽  
Metal Organic

An infinite one-dimensional cadmium metal–organic chain, namelycatena-poly[aquabis(μ3-2,2′-{[1,2-phenylenebis(methylene)]bis(sulfanediyl)}dibenzoato)dicadmium(II)], [Cd2(C22H16O4S2)2(H2O)]n, was synthesized by solvothermal reaction of Cd(NO3)2·4H2O and 2,2′-{[1,2-phenylenebis(methylene)]bis(sulfanediyl)}dibenzoic acid (H2L). The CdIIcentres have six-coordinate CdS2O4and CdSO5geometries. Due to the flexible –CH2–S– arms, theL2−ligand adopts bothsynandanticonformations. Four CdIIcations are linked by twosyn L2−ligands to form a centrosymmetric planar tetranuclear CdIIcore, which is further extended through bonding to theanti L2−ligands to form a one-dimensional metal–organic chain. Adjacent one-dimensional chains are connected by C—H...π interactions and nonclassical C—H...O hydrogen bonds to form the resultant three-dimensional supramolecular framework.

A new one-dimensional nickel metal–organic framework:catena-poly[[[diaquabis(4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoato-κO)nickel(II)]-μ-4,4′-bipyridine-κ2N:N′] monohydrate]

2014 ◽  
Vol 70 (3) ◽  
pp. 267-271 ◽  
Author(s):  
Aijing Geng ◽  
Qingfu Zhang ◽  
Jiajia Wang ◽  
Haina Zhang ◽  
Dezhi Sun
Keyword(s):  
Three Dimensional ◽  
Nickel Chloride ◽  
Chain Structure ◽  
Title Complex ◽  
Water Molecules ◽  
Hydrothermal Conditions ◽  
Nickel Metal ◽  
One Dimensional ◽  
Metal Organic ◽  
Coordinated Water

The title complex, {[Ni(C15H11N4O2S)2(C10H8N2)(H2O)2]·H2O}n, was synthesized by the reaction of nickel chloride, 4-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}benzoic acid (HL) and 4,4′-bipyridine (bpy) under hydrothermal conditions. The asymmetric unit contains two half NiIIions, each located on an inversion centre, twoL−ligands, one bpy ligand, two coordinated water molecules and one unligated water molecule. Each NiIIcentre is six-coordinated by two monodentate carboxylate O atoms from two differentL−ligands, two pyridine N atoms from two different bpy ligands and two terminal water molecules, displaying a nearly ideal octahedral geometry. The NiIIions are bridged by 4,4′-bipyridine ligands to afford a linear array, with an Ni...Ni separation of 11.361 (1) Å, which is further decorated by two monodentateL−ligandstransto each other, resulting in a one-dimensional fishbone-like chain structure. These one-dimensional fishbone-like chains are further linked by O—H...O, O—H...N and C—H...O hydrogen bonds and π–π stacking interactions to form a three-dimensional supramolecular architecture. The thermal stability of the title complex was investigatedviathermogravimetric analysis.

scholarly journals (Acetato-κO){2-[(2-aminoethyl-κN)disulfanyl]ethanaminium}dichloridozinc(II)

IUCrData ◽  
2016 ◽  
Vol 1 (1) ◽  
Author(s):  
Naoto Kuwamura ◽  
Payel Laskar ◽  
Takumi Konno
Keyword(s):  
Hydrogen Bonding ◽  
Hydrogen Bonds ◽  
Network Structure ◽  
Title Compound ◽  
Three Dimensional ◽  
Chain Structure ◽  
Coordination Geometry ◽  
Dimensional Chain ◽  
Tetrahedral Coordination ◽  
One Dimensional

In the title compound, [Zn(C4H13N2S2)(CH3COO)Cl2], the ZnIIion is in a tetrahedral coordination geometry, coordinated by one acetate, two chloride and one 2-[(2-aminoethyl)disulfanyl]ethanaminium ligand, with a Zn—O distance of 1.977 (3) Å, a Zn—N distance of 2.015 (3) Å and Zn—Cl distances of 2.2673 (18) and 2.2688 (15) Å. In the crystal, molecules are self-assembled by N—H...Cl hydrogen bonds, leading to a one-dimensional chain structure. The chains interact with each other through N—H...O, N—H...S, C—H...Cl and C—H...S hydrogen bonding, completing a three-dimensional hydrogen-bonding network structure.

scholarly journals Tris(phenyl 2-pyridyl ketone oxime-κ2N,N′)cadmium(II) dinitrate

2009 ◽  
Vol 65 (6) ◽  
pp. m641-m641 ◽  
Author(s):  
Juan Yan ◽  
Guang-Xiang Liu
Keyword(s):  
Crystal Structure ◽  
Hydrogen Bonds ◽  
Title Compound ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Chain Structure ◽  
Octahedral Geometry ◽  
Distorted Octahedral Geometry ◽  
Distorted Octahedral ◽  
A Chain

The Cd atom in the title compound, [Cd(C12H10N2O)3](NO3)2, adopts a distorted octahedral geometry, being ligated by six N atoms from three different phenyl-2-pyridyl ketone oxime ligands. In the crystal structure, intermolecular O—H...O and C—H...O hydrogen bonds link the molecules into a chain structure propagating along [100]. The chains are further linked into a three-dimensional supramolecular structureviavan der Waals forces.

Supramolecular structures in three thiouracil derivatives: 5,6-trimethylene-2-sulfanylidene-1,2-dihydropyrimidin-4(3H)-one, 2-(4-fluorobenzylsulfanyl)-5,6-trimethylenepyrimidin-4(3H)-one and methyl 2-{[2-(4-fluorobenzylsulfanyl)-5,6-trimethylenepyrimidin-4-yl]oxy}acetate

2014 ◽  
Vol 70 (4) ◽  
pp. 416-420 ◽  
Author(s):  
Yu-Jun Zhou ◽  
Jing Lv ◽  
Kai Yu ◽  
Jian-Ping Ma ◽  
Dian-Shun Guo
Keyword(s):  
Hydrogen Bonds ◽  
Supramolecular Structure ◽  
Three Dimensional ◽  
Supramolecular Structures ◽  
Asymmetric Unit ◽  
One Dimensional ◽  
Space Groups ◽  
Different Types ◽  
Independent Molecules ◽  
Thiouracil Derivatives

The molecules of the title compounds, C7H8N2OS, (1), C14H13FN2OS, (2), and C17H17FN2O3S, (3), crystallize in the space groupsC2/m,C2/candIa, respectively. Compounds (1) and (2), anS-alkylated derivative of (1), consist of only one symmetry-independent molecule, while (3), anO-alkylated derivative of (2), contains two independent molecules in the asymmetric unit. The molecules of (1) sit on crystallographic mirror planes. In the supramolecular structure of (1), a combination of N—H...O and N—H...S hydrogen bonds creates a molecular strap withC(6) andR22(8) motifs, which is further stabilized by an S...S contact. In the packing of (2), a one-dimensional molecular column is made up of two kinds of dimers. One dimer, with anR22(18) motif, is formed by a pair of C—H...O soft hydrogen bonds and the other, with anR22(8) motif, is producedviaa pair of N—H...O hard hydrogen bonds. In the packing of (3), moleculesAandBform two different types of one-dimensional chain by intermolecular C—H...N hydrogen bonds, and by C...N and O...S contacts, respectively. Two such kinds of chain are connected alternatelyviainterchain C—H...O hydrogen bonds, giving a two-dimensional sheet. Finally, a three-dimensional supramolecular structure is formed through weak intersheet C—H...F hydrogen bonds. The study of the molecular and supramolecular structures of thiouracil derivatives is significant in the development of lipoprotein-associated phospholipase A2inhibitors.

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