A Hirshfeld surface analysis, supramolecular structure and magnetic properties of a new Cu(II) complex with the 4-amino-6-methoxypyrimidine ligand

Nbili, Wijdene; Kaabi, Kamel; Ferenc, W.; Cristóvão, Beata; Lefèbvre, Frédéric; Jelsch, Christian; Nasr, C. Ben

doi:10.1016/j.molstruc.2016.10.016

Cited by 6 publications

(2 citation statements)

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“…The structural diversity of metal complexes depends essentially on the nature of the metal atom, the ligand and the counterion. In this respect, We used mixed-salt Cu(NO3)2 and CuCl2 to synthesize a new complex (I) with ampy as organic ligand and two inorganic ligands (NO3and Cl -) in order to provide a structure different from that of the complex [Cu(ampy)(H2O)(NO3)2] [10]. We have also synthesized another new metal complex (II) has a metal atom Cd(II) and ampy as organic ligand.…”

Section: Introductionmentioning

confidence: 99%

Synthesis, Crystal Structure, Hirshfeld Surface Analysis and DFT Calculations of Two New Cu(II) and Cd(II) Complexes with the 4-Amino-6-methoxypyrimidine Ligand

et al. 2022

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Two new mononuclear complexes, [Cu2Cl1.23(NO3)0.77(ampy)4(H2O)4](NO3)2.4H2O (I) and [CdI2(ampy)2] (II) (ampy = 4-amino-6-methoxypyrimidine), have been synthesized and characterized by single crystal X-ray diffraction studies at 295 K for (I) and 100 K for (II). The structure of the Cu(II) complex shows that the Cu(II) central atom is five-coordinated with a distorted square pyramidal geometry. In compound (II) the Cd(II) cations are tetracoordinated with a distorted tetrahedral fashion. Intermolecular interactions were investigated by Hirshfeld surfaces. Electronic properties such as HOMO and LUMO energies were derived (СIF file CCDC no. 2023331 for (I) and СIF file CCDC no 2023331 for (II)).

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Section: Introductionmentioning

confidence: 99%

Synthesis, Crystal Structure, Hirshfeld Surface Analysis and DFT Calculations of Two New Cu(II) and Cd(II) Complexes with the 4-Amino-6-methoxypyrimidine Ligand

et al. 2022

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“…The intermolecular interactions within the crystal structures of the ligands (L1) and (L2), and of their silver complexes were analysed by combining 3D Hirshfeld surface and 2D fingerprint plots. A better understanding of the molecular structure requires quantitative insights into the relative contributions of intermolecular interactions within the crystal [61].…”

Section: Hirshfeld Surfaces Analyses Of (L1) (L2)mentioning

confidence: 99%

Synthesis, spectroscopic characterization, crystal structure, Hirshfeld surface analysis and antimicrobial activities of two triazole Schiff bases and their silver complexes

Bouhidel¹,

Cherouana²,

Durand³

et al. 2018

Inorganica Chimica Acta

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The present work describes the synthesis, structural characterization, Hirshfeld analysis, and antibacterial assays of two hydroxy Schiff bases with triazole moiety: N-[(E)-(3hydroxy)methylidene]-4H-1-2-4 triazol-4-amine (L1) and N-[(E)-(2,4dihydroxy)methylidene]-4H-1-2-4 triazol-4-amine (L2). The interaction of these two Schiff bases with AgNO 3 leads to Ag(I) dimer [Ag(L1)](NO 3) in the case of the first ligand (L1) and polymer [Ag(L2)] n (NO 3) n (H 2 O) for (L2). Crystal structure determination and Hirshfeld analysis reveal the presence of two important hydrogen bond interactions in the four compounds, O…H and H…N, involving nitrogen atoms of triazole ring. Contribution of these two types of hydrogen bonds evolves inversely from (L1) which contains one-OH, to (L2) containing two-OH, then to [Ag(L1)](NO 3) dimer and finally to [Ag(L2)] n (NO 3) n (H 2 O) polymer. Indeed, we observed an increase of the percentage to the Hirshfeld surfaces of O…H contribution from (L1) to [Ag(L2)] n (NO 3) n (H 2 O) passing by (L2) and [Ag(L1)](NO 3), while the percentage of N…H decrease in the same way. Antibacterial activity of the free ligands (L1), (L2) and their silver complexes [Ag(L1)](NO 3) and [Ag(L2)] n (NO 3) n (H 2 O) were evaluated against four Gram-negative (E. coli, Salmonella typhimurium, Klebsiella 2 pneumoniae and serratia marcescens) and two Gram-positive (Staphylococcus aureus, streptococcus) bacteria strains, using the standard antibiotics, Colistin, Fosfomycin, Gentamycin, Erythromycin, Rifampicin, Amikacin, Ofloxacin and Amoxicillin as positive controls. AgNO 3 salt was also used as second control test. The results of this evaluation reveal that, while the two Schiff bases inhibit the growth of the Serratia Marcescens bacterium only, the two Ag(I) complexes are active for all bacteria, with activities comparable to the ones of silver nitrate. However, [Ag(L2)] n (NO 3) n (H 2 O) complex appears significantly more efficient than the AgNO 3 salt against Klebsiella Pneumoniae.

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A coordination compound featuring a supramolecular hydrogen-bonding network for proton conduction

Wang

Gao

et al. 2018

Chinese Chemical Letters

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A Hirshfeld surface analysis, supramolecular structure and magnetic properties of a new Cu(II) complex with the 4-amino-6-methoxypyrimidine ligand

Cited by 6 publications

References 41 publications

Synthesis, Crystal Structure, Hirshfeld Surface Analysis and DFT Calculations of Two New Cu(II) and Cd(II) Complexes with the 4-Amino-6-methoxypyrimidine Ligand

Synthesis, Crystal Structure, Hirshfeld Surface Analysis and DFT Calculations of Two New Cu(II) and Cd(II) Complexes with the 4-Amino-6-methoxypyrimidine Ligand

Synthesis, spectroscopic characterization, crystal structure, Hirshfeld surface analysis and antimicrobial activities of two triazole Schiff bases and their silver complexes

A coordination compound featuring a supramolecular hydrogen-bonding network for proton conduction

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