Structure of bis(nitrato)tetrakis(pyrazole)cobalt(II): Fine tuning in the stabilization of coordination entities by using intramolecular hydrogen bonding

Alsalme, Ali; Al-Farhan, Khalid; Ghazzali, Mohamed; Khair, Miftahul; Khan, Rais Ahmad; Reedijk, Jan

doi:10.1016/j.ica.2013.07.040

Cited by 8 publications

(5 citation statements)

References 25 publications

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“…The new signals appeared at the range δ 12–14 ppm in Ni(II) complexes derived from HL 4 and HL 5 (Figures S18 and 2b) could be attributed to a proton involved in intramolecular hydrogen bonding. [ 33,34 ] Further, the new signal in the range δ 2.49–2.50 ppm (Figures 2b and S15–S18) in all Ni(II) complexes is assigned to CH 3 of a coordinated acetate group. [ 24 ]…”

Section: Resultsmentioning

confidence: 99%

New pyrazole‐4‐carbothioamide‐based metal complexes: Synthesis, spectral characterization, computational, antimicrobial, and antitumor investigations

Ramadan

Elsamra

Bondock

2020

Applied Organom Chemis

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A series of 5‐hydroxy‐4‐(N‐substituted carbothioamide) pyrazole derivatives (HL1–HL5) and their iron(III), nickel(II), and copper(II) complexes have been synthesized. Structural elucidations of the isolated ligands and their complexes are basically accomplished by FT‐IR, 1H NMR, 13C NMR, UV–Vis, ESR, MS, and thermogravimetric analysis (TGA). The analytical data propose the stoichiometries 1:3 (M:L) for Fe(III) and 2:3 for both Ni(II) and Cu(II) complexes. The spectral data substantiate the bidentate coordination mode for all ligands towards metal ions via S and O atoms of CS of the carbothioamide group at pyrazole‐C4 and OH group at C(5) where deprotonation occurs from the enolic tautomer on chelation. Likewise, bidentate pattern of a bridged acetate group is confirmed in the case of Ni(II) and Cu(II) complexes. The magnetic moment values validate high spin octahedral geometry for Fe(III) complexes whereas the diamagnetic feature of Ni(II) complexes is in conformity with the square planar symmetry of low spin state. ESR spectra of all Cu(II) complexes support their existence in distorted square planar geometry with a considerable electron exchange between two copper ion centers of dinuclear type. TGA and DTG analysis of six complexes display their considerable thermal stability. Besides, the in vitro biological screening effects of some selected compounds are tested against various human pathogen microorganisms. Among the ligands, HL5 exhibits the greatest antibacterial activity against two Gram‐positive species (Bacillus subtilis and Staphylococcus aureus) and one Gram‐negative (Proteus vulgaris) in comparison with gentamicin drug. Furthermore, IC50 values of [Cu2(L5)3(OAc)] complex reveal its significant anticancer activity against the three tumor cell lines HCT‐116, MCF‐7, and HepG‐2 compared with imatinib and cisplatin as positive controls. Finally, the optimized structures of all ligands and their molecular electrostatic potential surfaces are established by utilizing density functional theory (DFT).

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Section: Resultsmentioning

confidence: 99%

New pyrazole‐4‐carbothioamide‐based metal complexes: Synthesis, spectral characterization, computational, antimicrobial, and antitumor investigations

Ramadan

Elsamra

Bondock

2020

Applied Organom Chemis

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“…价键计算 [42] 表明杂化物1中所有钼均为+6价, 并 http://engine.scichina.com/doi/10.1360/N972018-00642 示 [43] . 位于3182和1643 cm −1 吸收的为N−H伸缩振动峰和弯曲振动峰, 而位于2850~3000 cm −1 处的较弱吸图 4 (网络版彩色)杂化物 1 中二维氢键网络结构示意图…”

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Structure and property of a Cu(II) compound bearing isopolyanion and flexible triol ligand

Duan

Liu

et al. 2018

Chin. Sci. Bull.

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Articles you may be interested in Synthesis, structure and catalytic behavior of yttrium complexes bearing a diaminobis(phenolate) ligand Chinese Science Bulletin 54, 3231 (2009); Crystal structure and photoelectricity property of Fe(II/III) coordination supermolecules Chinese Science Bulletin 55, 124 (2010); Crystal structure and surface photo-electric property of Mn(II) coordination supramolecules Chinese Science Bulletin 53, 339 (2008); Porous zinc(II)-organic framework with potential open metal sites: Synthesis, structure and property

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“…Transition metal complexes containing pyrazole or substituted pyrazoles as ligands are of current interest due to their supramolecular arrangements (Lumme et al, 1988;Takahashi et al, 2006;Casarin et al, 2007;Alsalme et al, 2013). In the course of an investigation on the coordination chemistry of various azolyl-nitrochloroalkanes , we have previously studied the reaction of copper(II) perchlorate hexahydrate with equimolar amounts of 1-chloro-1-nitro-2,2,2-tris(pyrazolyl)ethane, Cl(NO 2 )CH-C(C 3 H 3 N 2 ) 3 ( Fig.…”

Section: Chemical Contextmentioning

confidence: 99%

Unexpected formation and crystal structure of tetrakis(1H-pyrazole-κN²)palladium(II) dichloride

et al. 2014

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Structure of bis(nitrato)tetrakis(pyrazole)cobalt(II): Fine tuning in the stabilization of coordination entities by using intramolecular hydrogen bonding

Cited by 8 publications

References 25 publications

New pyrazole‐4‐carbothioamide‐based metal complexes: Synthesis, spectral characterization, computational, antimicrobial, and antitumor investigations

New pyrazole‐4‐carbothioamide‐based metal complexes: Synthesis, spectral characterization, computational, antimicrobial, and antitumor investigations

Structure and property of a Cu(II) compound bearing isopolyanion and flexible triol ligand

Unexpected formation and crystal structure of tetrakis(1H-pyrazole-κN²)palladium(II) dichloride

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Structure of bis(nitrato)tetrakis(pyrazole)cobalt(II): Fine tuning in the stabilization of coordination entities by using intramolecular hydrogen bonding

Cited by 8 publications

References 25 publications

New pyrazole‐4‐carbothioamide‐based metal complexes: Synthesis, spectral characterization, computational, antimicrobial, and antitumor investigations

New pyrazole‐4‐carbothioamide‐based metal complexes: Synthesis, spectral characterization, computational, antimicrobial, and antitumor investigations

Structure and property of a Cu(II) compound bearing isopolyanion and flexible triol ligand

Unexpected formation and crystal structure of tetrakis(1H-pyrazole-κN2)palladium(II) dichloride

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Unexpected formation and crystal structure of tetrakis(1H-pyrazole-κN²)palladium(II) dichloride