Crystal Structure Of Copper Complex Research Articles

Synthesis and crystal structures of copper complexes with N,N,N-tridentate chelating ligands containing o-phenanthroline-appended benz-fused polyazoles and their catalytic application in A3 coupling reaction

Design of two new N-enriched N,N,N-tridentate chelating ligands comprising of benz-fused polyazole-based heterocyclic scaffolds in combination with 1,10-phenanthroline motif, has been presented in this work for exploring their Cu-complexes as structurally well-defined precatalysts for A3 coupling reactions. With the two different tridentate N-donor ligands L1 and L2, two monomeric Cu(II) complexes, [Cu(L1)2(OClO3)][ClO4] (Cu-1) and [Cu(L2)(OClO3)(OH2)2][ClO4] (Cu-2) have been synthesized in good yield and characterized well with spectroscopic and crystallographic techniques. In spite of similar type of ligands, structures of the complexes are quite different which can be attributed to the electronic effect of the ligands. Crystal structure of Cu-1 reveals that the central copper ion is in octahedral geometry where one ligand is ligated in tridentate mode and the other is coordinated in a bidentate mode. In case of complex Cu-2, it is observed that only one ligand has been coordinated in tridentate mode. The N-heterocyclic backbone possesses key electronic properties such as good π-accepting/σ-donating property, and efficient charge sinks due to the presence of the extended π-conjugation, Accordingly, both the complexes have been found to be efficient precatalysts in A3 coupling of aldehydes, amines, and alkynes for the synthesis of propargylamines.

Re-reporting the Crystal Structure of Copper Complex from Another Point of View

We faced an example of re-reporting of the crystal structure, which was studied from another perspective. With the development of data-driven science, the efficiency of all researchers may be improved if the rules of data "reuse", which are different from "novelty", are established. In this context, the crystal structure of a copper(II) complex with 2,6-pyridine dicarboxylic acid, C14H8O8CuN2.H2O (monohydrate), was re-determined by us again. It has a different number of crystalline water molecules in a crystal of the same copper(II) complex previously reported (trihydrate). Interestingly, both crystal structures have been reported again and again by many researchers for a long time. What’s novelty for each report?

Role of metal Cu(II) and Ag(I) on molecular structure of 4-amino-N-(2, 6-dimethoxypyrimidin-4-yl) benzenesulfonamide in presence of 3-methyl pyridine: Synthesis, spectral, crystallographic and DNA interaction studies

Mononuclear and dinuclear copper and silver complexes of bidentate sulfadimethoxine (sdmz), 4-Amino-N-(2,6-dimethoxypyrimidin-4-yl)benzenesulfonamide, ligand in presence of secondary ligand 3-methyl pyridine have been synthesized and characterized by X-ray diffraction and spectroscopic techniques. In crystal structure of mononuclear copper complex [{Cu(C12H12N4O4S).(C6H7N)}.(C6H7N)]; (complex 1), copper occupies special crystallographic position exhibiting a distorted octahedral geometry. A free solvent 3-methyl pyridine per asymmetric unit, completes the crystal structure of copper complex. Silver complex of bidentate sdmz ligand formulated as [Ag2(C12H12N4O4S)2(C6H7N)2]; (complex 2), crystallizes in centrosymmetric space group P21/c with two molecules per asymmetric unit. In the silver complex, silver located in a distorted tetrahedral coordination displaying argentophilic interactions with Ag-Ag separation distance of 2.8177(5) Å in molecule A and 2.8227(5) Å in molecule B. Secondary ligand plays a decisive role towards formulating coordination geometry as well as the molecular stability of both the complexes. Hirshfeld surface (HS) analysis reveals the quantitative contributions of different interactions on HS. Lipophilicity index (log P value) represents significant biological activity of the molecules, correlates well with the contribution of CH…π interaction. Both the complexes of sdmz ligand are screened for diverse biological activities to investigate the role of Cu(II) and Ag(I) metals on the molecular conformation of sdmz complexes. The interaction ability of both the metal complexes to DNA studied by absorption spectroscopy and viscosity measurement along with molecular docking study, conformed the intercalation mode of DNA binding with comparatively higher binding strength (Kb) for silver complex followed by copper complex and free sdmz ligand. The data of MIC against panel of gram positive and gram negative organisms confirm that both the metal complexes of sdmz possesses better inhibitory activities than that of sdmz ligand. Being less toxic, copper complex exhibits comparatively better response towards the panel of the gram positive and gram negative bacteria except B. subtilis. The observed differences in molecular structures and so on the biological activities of copper and silver complexes of sdmz-picoline ligand, point towards the impact of the respective metals.

Synthesis, Characterization and X-Ray Crystal Structure of Copper Complex with 18-Crown-6

Synthesis, Characterization and X-Ray Crystal Structure of Copper Complex with 18-Crown-6

Solid-state transition metal chemistry with imidazol-2-yl-methyl[N-(n-butyl)amino]-diphenylphosphine oxide (2-izmape). Crystal structure of the [Cu(2-izmape)2](ClO4)2 complex

The complexes of general formula [Cu(2-izmape)2](ClO4)2, [M(2-izmape)2(ClO4)2], M=Ni and Co, with imidazol-2-yl-methyl[N-(n-butyl)amino]-diphenylphosphine oxide (2-izmape) ligand have been synthesized and characterized. In particular, the crystal structure of copper complex has been determined. The complexes have been characterized by infrared, ligand field spectra and magnetic measurements. These mononuclear complexes are 4+2 coordinated (Cu) and 6-coordinated (Ni and Co). The ligand acts as N,N,O′-chelate (Cu) and N,N-chelate (Ni, Co). The results of the magnetic studies of complexes in the range of 1.8–300K indicate the copper centers are magnetically isolated. For Ni and Co complexes a very weak intermolecular ferromagnetic interaction is suggested. The magnetic behavior of cobalt and nickel complexes indicates an important orbital contribution in magnetic properties via spin-orbit.

Synthesis, spectroscopic properties and biological evaluation of transition metal complexes of salicylhydrazone of anthranilhydrazide: X-ray crystal structure of copper complex

The transition metal complexes of salicylhydrazone of anthranilhydrazide (H2L) were synthesised. The structures of metal complexes were characterized by various spectroscopic [IR, NMR, UV–Vis, EPR], thermal and other physicochemical methods. The single-crystal X-ray diffraction study of [Cu(HL)Cl]·H2O reveal its orthorhombic system with space group P2(1)2(1)2 and Z=4. The copper center has a distorted square planar geometry with ONO and Cl as the donor atoms. The ligand and its metal chelates have been screened for their antimicrobial and anti-tubercular activities using serial dilution method. Metal complexes in general have exhibited better antibacterial and antifungal activity than the free ligand and in few cases better than the standard used. Among the bacterial strains used, the complexes are highly potent against Gram-positive strains compared to Gram-negative. Anti-tubercular activity exhibited by the Co(II) complex is comparable with the standard used.

Synthesis, Crystal Structure, and Properties of a Novel Copper(II) Complex with the Tripod Ligand Tris(2-benzimidazolylmethyl)amine

A novel five-coordinate copper complex with the tripod ligand tris(2-benzimidazolylmethyl)amine (ntb), with composition [Cu(ntb)(H2O)] (ClO4C6H7NO2⋅2H2O (C6H7NO2 4-meth- oxylpyridine-N-oxide), was synthesized and characterized by means of elemental analyses, electrical conductivities, thermal analyses, I.R., and U.V. The crystal structure of the copper complex has been determined by a single-crystal X-ray diffraction method, and shows that the CuII atom is bonded to a ntb ligand and a water molecule through four N atoms and one O atom, giving a distorted trigonal-bipyramidal coordination geometry (τ = 0.83), with approximate C3 molecular symmetry. Cyclic voltammograms of the copper complex indicate a quasireversible Cu+2Cu+ couple.

Synthesis, Crystal Structure, and Properties of a Novel Copper(II) Complex with the Tripod Ligand Tris(N-Methylbenzimidazol-2-ylmethyl)Amine and 2-Methacrylate

A novel five-coordinate copper complex with the tripod ligand tris(N-methylbenzimidazol-2-ylmethyl)amine (Mentb) and 2-methacrylate, with the composition [Cu(Mentb)(2-methacrylate](ClO4)· 2DMF· 0.5H2O, was synthesized and characterized by means of elemental analyses, electrical conductivities, thermal analyses, IR, and UV. The crystal structure of the copper complex has been determined by a single-crystal X-ray diffraction method, and shows that the CuII atom is bonded to a tris(N-methylbenzimidazol-2-ylmethyl)amine (Mentb) ligand and a 2-methacrylate molecule through four N atoms and one O atom, giving a distorted trigonal-bipyramidal coordination geometry (τ = 0.78), with approximate C3 molecular symmetry. Cyclic voltammograms of the copper complex indicate a quasireversible Cu+2/Cu+ couple. Electron spin resonance data confirm the trigonal-bipyramidal structure and indicate g‖ < g∞ with a very small value of A (23 × 10−4 cm−1).

Metal Derivatives of Heterocyclic Thioamides: Synthesis and Crystal Structures of Copper Complexes with 1‐Methyl‐1,3‐imidazoline‐2‐thione and 1,3‐Imidazoline‐2‐thione

AbstractReactions of copper(I) halides (Cl, Br, I) with 1‐methyl‐1, 3‐imidazoline‐2‐thione (mimzSH) in 1 : 2 molar ratio yielded sulfur‐bridged dinuclear [Cu2X2(μ‐S‐mimzSH)2(η1‐S‐mimzSH)2] (X = I, 1, Br, 2; Cl, 3) complexes. Copper(I) iodide with 1,3‐imidazoline‐2‐thione (imzSH2) and Ph3P in 1 : 1 : 1 molar ratio has also formed a sulfur‐bridged dinuclear [Cu2I2(μ‐S‐imzSH2)2(PPh3)2] (4) complex. The central Cu(μ‐S)2Cu cores form parallelograms with unequal Cu–S bond distances {2.324(2), 2.454(3) Å} (1); {2.3118(6), 2.5098(6) Å} (2); {2.3075(4), 2.5218(4) Å} (3); {2.3711(8), 2.4473(8) Å} (4). The Cu···Cu separations, 2.759–2.877Å in complexes 1–3 are much shorter than 3.3446Å in complex 4. The weak intermolecular interactions {H2CH···S# (2); CH···Cl# (3); NH···I# (4)} between dimeric units in complexes 2–4 lead to the formation of linear 1D polymers.

Heterocyclic thioamides of copper(I): Synthesis and crystal structures of copper complexes with 1,3-imidazoline-2-thiones in the presence of triphenyl phosphine

Reaction of copper(I) chloride with 1,3-imidazoline-2-thione (imzSH) in the presence of Ph 3P in 1:2:2 or 1:1:2 (M:L:PPh 3) molar ratios yielded a compound of unusual composition, [Cu 2(imzSH)(PPh 3) 4Cl 2] · CH 3OH ( 1), whose X-ray crystallography has shown that its crystals consist of four coordinated [CuCl(1κS-imzSH)(PPh 3) 2] ( 1a), and three coordinated [Cu(PPh 3) 2Cl] ( 1b) independent molecules in the same unit cell. In contrast, crystals of complexes of copper(I) bromide/iodide are formed by single molecules of [CuBr(1κS-imzSH)(PPh 3) 2] · H 2O ( 2) and [CuI(1κS-imzSH)(PPh 3) 2] ( 3), respectively, similar to molecule 1a. The related ligand, 1,3-benzimidazoline-2-thione (bzimSH) formed a complex [CuBr(1κS-bzimSH)(PPh 3) 2] · CH 3COCH 3 ( 4), similar to 2. The formation of 1a and 1b has been also revealed by NMR spectroscopy. The NMR spectra of 2– 4 also showed weak signals indicating formation of compounds similar to 1b. It reveals that the lability of the Cu–S bond varies in the order: Cl ≫ Br ∼ I. Weak interactions {e.g. C–H⋯π electrons of ring, –NH⋯halogens/oxygen, C–H⋯halogens/oxygen, π⋯π (between rings)} have played an important role in building 2D chains of complexes 1– 4.

N-tripodal ligands to generate copper catalysts for the syndiotactic polymerization of methyl-methacrylate: Crystal structures of copper complexes

A library of N-tripodal ligands, based on a central nitrogen atom connected to three different functionalized arms, was investigated via a parallel approach for the polymerization of methyl-methacrylate (MMA) in presence of late transition metal salts. Copper salts CuCl 2 and Cu(OAc) 2 in combination with N-(2-furanylmethyl)- N-(1-3,5-dimethyl-1H-pyrazolylmethyl)- N- (phenylmethyl)amine were detected as efficient catalysts for the syndiotactic polymerization of MMA ([rr] up to 78%). Kinetic studies and X-ray structures of the best catalysts were reported.

Synthesis, crystal structure and properties of a novel copper(II) complex with tripod ligand tris(1H-benzimidazol- 2-ylmethyl)amine

A five-coordinate copper complex with the tripod ligand tris(1H-benzimidazol-2-ylmethyl)amine (ntb), of composition [Cu(ntb)(H2O)] (C1O4)2 · C5H4N2O3 · H2O (C5H4N2O3 = 4-nitropyridine-N-oxide), was synthesized and characterized by means of elemental analyses, electrical conductivities, thermal analyses, IR, and U.V. The crystal structure of the copper complex has been determined by single-crystal X-ray diffraction, and shows that the CuII is bonded to a tris(1H-benzimidazol-2-ylmethyl)amine (ntb) ligand and a water molecule through four N atoms and one O atom, giving a distorted trigonal–bipyramidal coordination geometry with approximate C 3 molecular symmetry. Cyclic voltammograms of the copper complex indicate a quasi-reversible Cu+2/Cu+ couple. Electron spin resonance data confirm a trigonal-bipyramidal structure and with g 2 < g ζ and a very small value of A 2 (20 × 10−4 cm−1).

Crystal structures of copper complexes showing ferromagnetic interaction

Crystal structures of copper complexes showing ferromagnetic interaction

Unusual Intermolecular Short Contacts of C···C = 2.3 Å in Crystal Structure of Copper Complex of Schiff Base of Vitamin B6 Phosphate Ester; Does It Reveal an Intermediate Structure to σ-Covalent Bond Formation ?

Abstract The crystal structure of copper complex of Schiff base of pyridoxal-5-phosphate and pyridoxamine-5-phosphate showed the strikingly short intermolecular C···C contact of ∼ 2.3 Å. Since this value corresponds just to a transition state for cycloaddition reaction estimated by ab initio calculation, the present result may be the first structural presentation of an intermediate structure from the noncovalent π–π interaction to the σ-covalent bond formation.

Reactions of metal ions with vitamins. 2. Crystal structures of copper complexes with anionic and with neutral pyridoxamine

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTReactions of metal ions with vitamins. 2. Crystal structures of copper complexes with anionic and with neutral pyridoxamineKenneth J. Franklin and Mary Frances RichardsonCite this: Inorg. Chem. 1980, 19, 7, 2107–2113Publication Date (Print):July 1, 1980Publication History Published online1 May 2002Published inissue 1 July 1980https://doi.org/10.1021/ic50209a054RIGHTS & PERMISSIONSArticle Views78Altmetric-Citations27LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InReddit PDF (812 KB) Get e-AlertsSupporting Info (1)»Supporting Information Supporting Information Get e-Alerts