Structural effects of potentially hexadentate N4O2, N4S2 or N6 ligands involving pyridine, amine and ether or thioether donors: crystal structure of copper(II) and zinc(II) complexes †

Jubert, Caroline; Mohamadou, Aminou; Marrot, Jérôme; Barbier, Jean‐Pierre

doi:10.1039/b010074i

Cited by 28 publications

(25 citation statements)

References 54 publications

(31 reference statements)

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“…Though several isomers can be obtained with a linear hexadentate ligand, the one observed here has the pyridine nitrogen atoms in the trans positions; the same isomer have been found for a zinc() complex. [7] Figure 1 2ϩ complex described earlier, [7] all metal-donor atom bond lengths in the nickel complex are smaller than those in the zinc complex, which is consistent with the larger radius of Zn II . Conversely, the five chelate bond angles of 79.4(1)Ϫ83.3 (2) (3) 2.074(4) NiϪO (2) 2.083(3) N(1)ϪNiϪN (2) 80.4(2) N(2)ϪNiϪO(2) 159.8(1) N(1)ϪNiϪN (3) 96.9(2) N(3)ϪNiϪO(1) 160.2(2) N(1)ϪNiϪN (4) 175 (2) 2.470(1) Ni (2)ϪS (4) 2.463(1) Ni (1)ϪN (1) 2.087(3) Ni (2)ϪN (5) 2.098(3) Ni (1)ϪN (2) 2.083(3) Ni (2)ϪN (6) 2.099(3) Ni (1)ϪN (3) 2.079(3) Ni (2)ϪN (7) 2.104(3) Ni (1)ϪN (4) 2.091(3) Ni (2)ϪN (8) 2.101(3) N(1)ϪNi (1)ϪN(2) 79.7(1) N(5)ϪNi(2)ϪN (6) 79.6(1) N(1)ϪNi(1)ϪN (3) 99.1(1) N(5)ϪNi(2)ϪN (7) 100.0(1) N(1)ϪNi(1)ϪN (4) 94.4(1) N(5)ϪNi(2)ϪN (8) 90.1(1) N(1)ϪNi(1)ϪS(1) 165.06 (9) N(5)ϪNi(2)ϪS(3) 164.5(1) N(1)ϪNi(1)ϪS (2) 90.44 (8) N (5)ϪNi (2)ϪS (4) 94.14(9) N(2)ϪNi(1)ϪN(3) 178.8 (1) N (6)ϪNi (2)ϪN (7) 179.1(1) N(2)ϪNi(1)ϪN (4) 98.5(1) N(6)ϪNi(2)ϪN (8) 101.0(1) N(2)ϪNi(1)ϪS (1) 86.46 (9) N (6)ϪNi …”

Section: X-ray Diffraction Studiessupporting

confidence: 81%

“…[b] From ref. [7] Complexation of Ni 2ϩ with pydado and pydadt occurs below pH 3. The NiL species with these two ligands are completely formed at pH 5.5 (pydado) and pH 4.5 (pydadt).…”

Section: Solution Equilibria: Metal Chelate Formation Constantsmentioning

confidence: 99%

“…Pertinent crystallographic and refinement details are reported in Table 2. [6,7] A view of the cation with the labelling scheme is shown in Figure 1.…”

Section: X-ray Diffraction Studiesmentioning

confidence: 99%

“…[7] The thermodynamic constants for the two ligands studied are listed in Table 1. [a] Values in parentheses represent 1σ standard deviation for the last significant digit.…”

Section: Solution Equilibria: Metal Chelate Formation Constantsmentioning

confidence: 99%

“…( Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2004) 2,11-diazadodecane (pydadt)]. [6,7] These ligands contain ether oxygen or thioether donors as well as aliphatic and aromatic nitrogen donors in the their ligand framework (Scheme 1).…”

Section: Introductionmentioning

confidence: 99%

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Configuration of Octahedral Metal Compounds − Equilibrium, Crystal and Molecular Structure of Nickel(II) Complexes of Linear N₂O₄, N₄S₂ or N₆ Donors Set Atoms Ligands

et al. 2004

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Section: X-ray Diffraction Studiessupporting

confidence: 81%

“…[b] From ref. [7] Complexation of Ni 2ϩ with pydado and pydadt occurs below pH 3. The NiL species with these two ligands are completely formed at pH 5.5 (pydado) and pH 4.5 (pydadt).…”

Section: Solution Equilibria: Metal Chelate Formation Constantsmentioning

confidence: 99%

“…Pertinent crystallographic and refinement details are reported in Table 2. [6,7] A view of the cation with the labelling scheme is shown in Figure 1.…”

Section: X-ray Diffraction Studiesmentioning

confidence: 99%

“…[7] The thermodynamic constants for the two ligands studied are listed in Table 1. [a] Values in parentheses represent 1σ standard deviation for the last significant digit.…”

Section: Solution Equilibria: Metal Chelate Formation Constantsmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

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Configuration of Octahedral Metal Compounds − Equilibrium, Crystal and Molecular Structure of Nickel(II) Complexes of Linear N₂O₄, N₄S₂ or N₆ Donors Set Atoms Ligands

et al. 2004

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Synthesis and Characterization of Copper Complexes Containing the Tripodal N₇ Ligand Tris{2‐[(pyridin‐2‐ylmethyl)amino]ethyl}amine (=N′‐(Pyridin‐2‐ylmethyl)‐N,N‐bis{2‐[(pyridin‐2‐ylmethyl)amino]ethyl}ethane‐1,2‐diamine): Equilibrium, Spectroscopic Data, and Crystal Structures of Mono‐ and Trinuclear Copper(II) Complexes

Gérard

Mohamadou

Marrot

et al. 2005

Helvetica Chimica Acta

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The stability constants of the Cu II chelates with the tripodal heptadentate ligand tris{2-[(2-pyridylmethyl)amino]ethyl}amine ( N'-(pyridin-2-ylmethyl)-N,N-bis{2-[(pyridin-2-ylmethyl)amino]ethyl}ethane-1,2-diamine; tpaa), determined by potentiometry and UV spectrometry, show the formation of [Cu(tpaaH)] 3 and [Cu(tpaa)] 2 species. In the solid state, two mononuclear Cu II compounds, [Cu(tpaa)](PF 6 ) 2 (1) and [Cu(tpaaH)](ClO 4 ) 3 ¥ H 2 O (2), and one trinuclear [Cu 3 (tpaa) 2 (ClO 4 ) 2 ](ClO 4 ) 4 ¥ 2 H 2 O (3) complex were isolated and characterized by IR, UV/VIS, and EPR spectroscopy. An X-ray structure of the mononuclear protonated complex 2 shows that the Cu 2 ion has a distorted square-pyramidal geometry (t 0.21). and the proton is bound to the secondary-amine function of one uncoordinated arm of the tripod ligand (Fig. 4). The crystal lattice for 2 is stabilized by the H-bonds between the N-atom of the free pyridinyl group with the proton of the free secondary-amine function of the neighboring molecule. The linear trinuclear complex 3 consists of two entities of the pyramidal mononuclear complex 1 bound to the third central Cu 2 ion by the free unprotonated arms of the ligands in equatorial position (Fig. 5). The octahedral geometry of the third Cu II atom is achieved by two perchlorate anions in the axial positions. The redox properties of 1 ± 3 compounds was examined by cyclic voltammetry.

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Synthesis of Copper(II) Coordination Complex, Its Molecular Docking and Computational Exploration for Novel Functional Properties: A Dual Approach

et al. 2021

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The present investigation uses a dual approach to study the copper (II) complex [Cu(phen) 3 ]. (ClO 4) 2 .HL.CH 3 CN (1) and its cationic complex-[Cu(II)(phen) 3 ] 2 + (1 a), where, HL = 4-Bromo-2((Z)-(naphthalene-4-ylimino)methyl)phenol, phen = 1,10-phenanthroline. The complex (1) crystallized in the triclinic system of the space group P-1 with two molecules in the unit cell and reveals a distorted octahedral geometry. Inspiring by recent developments to find a potential inhibitor for the COVID-19 virus, we have also performed molecular docking study of [Cu(phen) 3 ] + 2 to see if our novel complex shows an affinity for the main protease (M pro) of COVID-19 spike protein. Interestingly, the results are found quite encouraging where the binding affinity and inhibition constant were found to be À 8.400 kcal/mol and 0.661 μM, respectively, for the bestdocked confirmation of [Cu(II)(Phen) 3 ] + 2 complex with M pro protein. This binding affinity is reasonably well as compared to recently known antiviral drugs. For instance, the binding affinity of [Cu(II)(Phen) 3 ] + 2 complex is found to be better than recently docking results of chloroquine (À 6.293 kcal/mol), hydroxychloroquine (À 5.573 kcal/mol) and remdesivir (À 6.352 kcal/mol) with M pro protein. Thus, we believe the broad-spectrum functional properties of our complex will provoke not only the interest of material chemists in materials designing but also incite the drug designing community.

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Structural effects of potentially hexadentate N4O2, N4S2 or N6 ligands involving pyridine, amine and ether or thioether donors: crystal structure of copper(II) and zinc(II) complexes †

Cited by 28 publications

References 54 publications

Configuration of Octahedral Metal Compounds − Equilibrium, Crystal and Molecular Structure of Nickel(II) Complexes of Linear N₂O₄, N₄S₂ or N₆ Donors Set Atoms Ligands

Configuration of Octahedral Metal Compounds − Equilibrium, Crystal and Molecular Structure of Nickel(II) Complexes of Linear N₂O₄, N₄S₂ or N₆ Donors Set Atoms Ligands

Synthesis of Copper(II) Coordination Complex, Its Molecular Docking and Computational Exploration for Novel Functional Properties: A Dual Approach

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Structural effects of potentially hexadentate N4O2, N4S2 or N6 ligands involving pyridine, amine and ether or thioether donors: crystal structure of copper(II) and zinc(II) complexes †

Cited by 28 publications

References 54 publications

Configuration of Octahedral Metal Compounds − Equilibrium, Crystal and Molecular Structure of Nickel(II) Complexes of Linear N2O4, N4S2 or N6 Donors Set Atoms Ligands

Configuration of Octahedral Metal Compounds − Equilibrium, Crystal and Molecular Structure of Nickel(II) Complexes of Linear N2O4, N4S2 or N6 Donors Set Atoms Ligands

Synthesis of Copper(II) Coordination Complex, Its Molecular Docking and Computational Exploration for Novel Functional Properties: A Dual Approach

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Configuration of Octahedral Metal Compounds − Equilibrium, Crystal and Molecular Structure of Nickel(II) Complexes of Linear N₂O₄, N₄S₂ or N₆ Donors Set Atoms Ligands

Configuration of Octahedral Metal Compounds − Equilibrium, Crystal and Molecular Structure of Nickel(II) Complexes of Linear N₂O₄, N₄S₂ or N₆ Donors Set Atoms Ligands