Search results for "COPPER"

showing 10 items of 3029 documents

The first copper(I)-olefin complexes bearing a 1,3,4-oxadiazole core: Alternating-current electrochemical crystallization, X-ray experiment and DFT s…

2017

By means of alternating-current electrochemical technique, four new π-complexes, namely [Cu2(C11H10N2OS)2Br1.91Cl0.09] (1), [Cu(C11H10N2OS)NO3] (2), [Cu2(C11H10N2OS)2(H2O)2](BF4)2 (3) and [Cu2(C11H10N2OS)2(H2O)2](ClO4)2 (4), were obtained using copper(II) salts and the 2-(allylthio)-5-phenyl-1,3,4-oxadiazole (C11H10N2OS) ligand. The metal and halogen centers in 1 form Cu2X2 dimers; the N-atom from the oxadiazole ring and the Cdouble bond; length as m-dashC bond of the allyl group from the same ligand complete the copper coordination environment, giving [Cu(C11H10N2OS)X]2 isolated fragments. The ligand plays the same chelating role in 2, whereas the O (NO3) atom occupies the third position i…

crystal structure3Stereochemistry1chemistry.chemical_elementOxadiazolekupariCrystal structure134-oxadiazole derivatives4-oxadiazole derivatives010402 general chemistryElectrochemistryRing (chemistry)DFT01 natural sciencesolefinpi-complexInorganic ChemistryMetalchemistry.chemical_compoundraman spectroscopyMaterials ChemistryMoleculePhysical and Theoretical Chemistryta116010405 organic chemistryLigandac-electrochemical techniquekompleksiyhdisteetCoppercopper(I)0104 chemical sciencesCrystallographychemistryvisual_artvisual_art.visual_art_mediumPolyhedron
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Chlorido(2,2′-{[2-(1-methyl-1H-imidazol-2-yl-κN 3)imidazolidine-1,3-diyl-κN]bis(methylene)}bis(1-methyl-1H-imidazole-κN 3))copper(II) perchlorate

2019

In the crystal structure of the title complex, [CuCl(C17H24N8)]ClO4, the copper(II) metal exhibits an N4Cl pentacoordinate environment in a distorted square-pyramidal geometry. Coordination to the metal centre occurs through the three 1-methylimidazole N atoms from the pendant groups, one amine N atom from the imidazolidine moiety and one chlorido anion. Intermolecular interactions take place at two of the 1-methyl-imidazole rings in the form of parallel-displaced π–π stacking interactions forming chains parallel to the a axis. Three O atoms of the perchlorate anion are rotationally disordered between two orientations with occupancies of 0.5.

crystal structureCrystallographyCopper(II) perchlorate010405 organic chemistrychemistry.chemical_elementGeneral ChemistryCrystal structure010402 general chemistryCondensed Matter Physics01 natural sciencesMedicinal chemistryCopper0104 chemical sciencesPerchloratechemistry.chemical_compoundchemistryQD901-999ImidazolidineImidazoleMoietyGeneral Materials Scienceimidazolidine ligandEne reactioncopper complexActa Crystallographica Section E Crystallographic Communications
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Crystal structure of bis{μ2-3-(pyridin-2-yl)-5-[(1,2,4-triazol-1-yl)methyl]-1,2,4-triazolato}bis[aquanitratocopper(II)] dihydrate

2016

The title complex is a centrosymmetric dimer with a copper–copper distance of 4.0408 (3) Å. The Cu ions in the dimer are bridged by two triazole rings and oxygen donor ligands from water mol­ecules and nitrate anions in a distorted octa­hedral coordination geometry.

crystal structureDimerTriazoledinuclear copper complexchemistry.chemical_elementCrystal structure010402 general chemistry01 natural sciencesResearch CommunicationsCrystalchemistry.chemical_compound124-triazoleGeneral Materials ScienceCoordination geometryCrystallography010405 organic chemistryHydrogen bond124-TriazoleGeneral ChemistryCondensed Matter PhysicsCopper0104 chemical sciencesCrystallographychemistryQD901-999hydrogen bondsActa Crystallographica Section E: Crystallographic Communications
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Hexanuclear copper(ii) cage with {Cu3O⋯H⋯OCu3} core supported by a dicompartmental oxime ligand with m-xylyl spacer: synthesis, molecular structure a…

2010

A new dicompartmental dioxime ligand (H(2)L) with m-xylyl spacer between the donor sites has been synthesised by Schiff-base condensation of α,α'-diamino-m-xylene and diacetyl monooxime. The ligand reacts with copper(ii) salts giving rise to hexanuclear tricationic copper(II) cage complexes [Cu(II)(6)(μ(3)-O···H···O-μ(3))L(3)(H(2)O)(6)]X(3) (X = BF(4), 1a; X = ClO(4), 1b). The complexes have been characterised by different analytical and spectroscopic techniques and confirmed the hexanuclear structure even in solution. Single crystal X-ray diffraction studies of both the complexes revealed a very similar core structure with three dicompartmental ligands supporting two triangular Cu(3)O core…

crystal structureHydrogen bondLigandExchange interactionHexanuclear copper complexchemistry.chemical_elementCrystallography X-RayLigandsOximeHexanuclear copper complex; oxime; crystal structureoximeCopperInorganic ChemistryMagneticschemistry.chemical_compoundCrystallographychemistryUnpaired electronOximesOrganometallic CompoundsMoleculeSingle crystalCopperDalton Transactions
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Ferro- and Antiferromagnetic Interactions in Oxalato-Centered Inverse Hexanuclear and Chain Copper(II) Complexes with Pyrazole Derivatives.

2021

Two novel copper(II) complexes of formulas {[Cu(4-Hmpz)4][Cu(4-Hmpz)2(µ3-ox-κ2O1,O2:κO2′:κO1′)(ClO4)2]}n (1) and {[Cu(3,4,5-Htmpz)4]2[Cu(3,4,5-Htmpz)2(µ3-ox-κ2O1,O2:κO2′:κO1′)(H2O)(ClO4)]2[Cu2(3,4,5-Htmpz)4(µ-ox-κ2O1,O2:κ2O2′,O1′)]}(ClO4)4·6H2O (2) have been obtained by using 4-methyl-1H-pyrazole (4-Hmpz) and 3,4,5-trimethyl-1H-pyrazole (3,4,5-Htmpz) as terminal ligands and oxalate (ox) as the polyatomic inverse coordination center. The crystal structure of 1 consists of perchlorate counteranions and cationic copper(II) chains with alternating bis(pyrazole)(µ3-κ2O1,O2:κO2′:κO1′-oxalato)copper(II) and tetrakis(pyrazole)copper(II) fragments. The crystal structure of 2 is made up of perchlorat…

crystal structurePharmaceutical Sciencechemistry.chemical_elementCrystal structurePyrazoleOxalateArticleAnalytical ChemistryPerchloratechemistry.chemical_compoundQD241-441TheoryofComputation_ANALYSISOFALGORITHMSANDPROBLEMCOMPLEXITYDrug DiscoveryAntiferromagnetismPhysical and Theoretical Chemistrypolynuclear complexesOrganic ChemistryPolyatomic ioninverse coordination chemistryoxalatoCopperpyrazoleCrystallographycoordination polymerschemistryChemistry (miscellaneous)Intramolecular forcecopperMolecular Medicinemagnetic propertiesMolecules (Basel, Switzerland)
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Crystal structure of a low-spin poly[di-μ3-cyanido-di-μ2-cyanido-bis(μ2-2-ethylpyrazine)dicopper(I)iron(II)]

2019

In the title metal–organic framework, [Fe(C6H8N2)2{Cu(CN)2}2] n , the low-spin FeII ion lies at an inversion centre and displays an elongated octahedral [FeN6] coordination environment. The axial positions are occupied by two symmetry-related bridging 2-ethylpyrazine ligands, while the equatorial positions are occupied by four N atoms of two pairs of symmetry-related cyanide groups. The CuI centre is coordinated by three cyanide carbon atoms and one N atom of a bridging 2-ethylpyrazine molecule, which form a tetrahedral coordination environment. Two neighbouring Cu atoms have a short Cu...Cu contact [2.4662 (7) Å] and their coordination tetrahedra are connected through a common edge between…

crystal structurePyrazineCyanide02 engineering and technologyCrystal structure010402 general chemistry01 natural sciencesIonmetal–organic frameworkchemistry.chemical_compoundAtomGeneral Materials ScienceBimetallic stripCrystallographyChemistryGeneral Chemistrydicyanocuprate021001 nanoscience & nanotechnologyCondensed Matter Physicsiron(II)0104 chemical sciencescopper(I)CrystallographybimetallicQD901-999Metal-organic frameworkethylpyrazine0210 nano-technologyActa Crystallographica Section E: Crystallographic Communications
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Crystal structure of catena-poly[[[(2-ethoxypyrazine-κN)copper(I)]-di-μ2-cyanido] [copper(I)-μ2-cyanido]]

2019

The title compound, {[Cu(EtOpz)(CN)2][CuCN]}n, where EtOpz is 2-eth­oxy­pyrazine, is a two-dimensional polymeric copper complex with different coordination environments of the two CuI ions. One Cu atom is coordinated to the 2-eth­oxy­pyrazine mol­ecule and two bridging cyanide ligands, equally disordered over two sites. The second Cu atom is coordinated by two disordered over two sites bridging cyanide groups. Two copper–cyanide chains are connected through Cu⋯Cu contact.

crystal structurePyrazineCyanidechemistry.chemical_elementeth­oxy­pyrazineCrystal structure010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesResearch CommunicationsCoordination complexmetal–organic frameworkchemistry.chemical_compoundAtomGeneral Materials ScienceCoordination geometrychemistry.chemical_classificationCrystallographyethoxypyrazinecyanidesGeneral ChemistryCondensed Matter PhysicsCoppercopper(I)0104 chemical sciencesCrystallographychemistryQD901-999Metal-organic frameworkActa Crystallographica Section E Crystallographic Communications
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Crystal structure of bis[μ-1,4-bis(diphenylphosphanyl)butane-κ2P:P′]bis[(3,4,7,8-tetramethyl-1,10-phenanthroline-κ2N,N′)copper(I)] bis(hexafluoridoph…

2016

The dication of the title compound, [Cu2(C28H28P2)2(C16H16N2)2](PF6)2·2CH2Cl2, has crystallographically imposed inversion symmetry. The copper(I) cation is coordinated in a distorted tetrahedral geometry by two N atoms of a chelating 3,4,7,8-tetramethyl-1,10-phenanthroline ligand and two P atoms of two bridging 1,4-bis(diphenylphosphanyl)butane ligands, forming a 14-membered ring. An intramolecular π–π interaction stabilizes the conformation of the dication. In the crystal, dications are linked by π–π interactions involving adjacent phenanthroline rings, forming chains running parallel to [111]. Weak C—H...F hydrogen interactions are also observed.

crystal structureStereochemistryPhenanthrolinediiminecopper(I) complexesCrystal structure010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesMedicinal chemistrylcsh:Chemistrychemistry.chemical_compoundDiphosphinesGeneral Materials ScienceDiimineChemistryLigandButaneGeneral ChemistryCondensed Matter PhysicsHEXA0104 chemical sciencesDicationlcsh:QD1-999π–π interactionsdiphosphinesActa Crystallographica Section E: Crystallographic Communications
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Synthesis, characterization and self-assembly of three dicyanamide bridged polynuclear copper(II) complexes with N2O donor tridentate Schiff bases as…

2016

Three copper(II) complexes [Cu(L1)(μ1,5-dca)]n (1), [Cu(L2)(μ1,5-dca)]n (2) and [Cu(L3)(μ1,5-dca)]n (3) [where HL1 = (1-(2-(dimethylamino)ethylimino)ethyl) naphthalene-1-ol, HL2 = (1-(2-(methylamino)ethylimino)ethyl) naphthalene-1-ol and HL3 = (1-(2-(ethylamino)ethylimino)ethyl)naphthalene-1-ol] have been synthesized and characterized by elemental analysis, IR and UV–Vis spectroscopy. The structure of each complex has been confirmed by single-crystal X-ray diffraction studies. In all three complexes, copper(II) centres are bridged by dicyanamide in end to end fashion. Complexes 1 and 2 are zigzag polymers, whereas complex 3 is a helical one. The weak forces like C–H⋯π and π⋯π interactions i…

crystal structureStereochemistrychemistry.chemical_elementCrystal structure010402 general chemistry01 natural sciencesInorganic Chemistrychemistry.chemical_compoundpolynuclearMaterials ChemistryPhysical and Theoretical ChemistrySpectroscopyta116DicyanamidedicyanamideSchiff base010405 organic chemistryChemistryschiff baseCopper0104 chemical sciencesMolecular networkCrystallographySelf-assemblycopper(II)Polyhedron
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Crystal structure of bis[2,5-bis(pyridin-2-yl)-1,3,4-thiadiazole-κ2N2,N3]bis(thiocyanato-κS)copper(II)

2016

The structure of the title compound is similar to that of the related complexes [Co(C12H8N4S)2(N3)2] and [Ni(C12H8N4S)2(N3)2] in which the azide ion is substituted by the thio­cyanate group. The CuN4S2 octa­hedron is more distorted than the CoN6 and NiN6 octa­hedra.

crystal structureStereochemistrychemistry.chemical_elementThio-Crystal structure010402 general chemistry010403 inorganic & nuclear chemistry01 natural sciencesChlorideResearch CommunicationsMetalchemistry.chemical_compoundmedicine25-bis(pyridin-2-yl)-134-thiadiazoleGeneral Materials Sciencecopper complexCoordination geometrythio­cyanate ligandCrystallographyHydrogen bondGeneral Chemistrythiocyanate ligandCondensed Matter PhysicsCopper0104 chemical sciencesCrystallographychemistryQD901-999visual_artvisual_art.visual_art_mediumDiazole25-bis­(pyridin-2-yl)-134-thia­diazolemedicine.drugActa Crystallographica Section E Crystallographic Communications
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