Synthesis, structural characterization, Hirshfeld surface analysis, antimicrobial activity, and DNA cleavage studies of (Z)-4-methyl-N’xx-(phenyl(pyridin-2-yl)methylene)benzenesulfonohydrazide and its Co(II), Ni(II) and Zn(II) complexes

ÇINARLI, MURAT; ÇİNARLI, ESRA; Ataol, Çiğdem Yüksektepe; İdil, Önder; Kariptaş, Ergin

doi:10.1016/j.molstruc.2019.07.008

Synthesis, structural characterization, Hirshfeld surface analysis, antimicrobial activity, and DNA cleavage studies of (Z)-4-methyl-N’xx-(phenyl(pyridin-2-yl)methylene)benzenesulfonohydrazide and its Co(II), Ni(II) and Zn(II) complexes

Yazarlar (5)

Doç. Dr. Murat ÇINARLI Kırşehir Ahi Evran Üniversitesi, Türkiye

Öğr. Gör. Esra ÇİNARLI Kırşehir Ahi Evran Üniversitesi

Çiğdem Yüksektepe Ataol Çankırı Karatekin Üniversitesi, Türkiye

Önder İdil Amasya Üniversitesi, Türkiye

Ergin Kariptaş Kırşehir Ahi Evran Üniversitesi, Türkiye

Makale Türü	Özgün Makale (SSCI, AHCI, SCI, SCI-Exp dergilerinde yayınlanan tam makale)
Dergi Adı	Journal of Molecular Structure (Q3)
Dergi ISSN	0022-2860 Wos Dergi Scopus Dergi
Dergi Tarandığı Indeksler	SCI-Expanded
Makale Dili	İngilizce	Basım Tarihi	11-2019
Cilt / Sayı / Sayfa	1196 / 1 / 760–770	DOI	10.1016/j.molstruc.2019.07.008
Makale Linki	https://www.sciencedirect.com/science/article/pii/S0022286019308427

Özet

The NNO tridentate Schiff base ligand of 2-benzoyl pyridine sulfonyl hydrazone (HL) and its transition metal complexes [CoL2] (1), [NiL2] (2) and [ZnL2] (3) have been synthesized and characterized by analytical and spectroscopic studies. The molecular structures of HL and [NiL2] (2) have been investigated by X-ray diffraction and DFT/B3LYP methods. Based on the optimized structures, a single point energy calculation was made for HL and (2) in the different solvent media. The stability of the molecular structures was investigated in different solvent environments by calculating the molecular orbital energies and total energies of the molecular structures. The global reactivity parameters were obtained and the interactions between the molecules with DNA bases such as adenine, cytosine, guanine, and thymine were investigated by using the ECT (electrophilicity-based charge transfer) method and ΔN (charge transfer). Hirshfeld surfaces of HL and (2) complex were investigated and the interaction energies between the molecules participating in C–H⋯O/π interactions in the molecular structures were calculated by using the CE-HF energy model. From elemental analysis data, the metal-ligand ratio of the complexes was found to be 1:2. All compounds were examined for their antimicrobial activity against pathogenic microorganisms by the well-diffusion method. DNA cleavage studies of compounds were screened by the agarose gel electrophoresis method. The results showed that complex (3) showed highly nicking activity, while HL, (1) and (2) complexes didn't show any nicking activity.

Anahtar Kelimeler

Science Direct

BM Sürdürülebilir Kalkınma Amaçları

Atıf Sayıları
Scopus	6
Web of Science	12

Synthesis, structural characterization, Hirshfeld surface analysis, antimicrobial activity, and DNA cleavage studies of (Z)-4-methyl-N’xx-(phenyl(pyridin-2-yl)methylene)benzenesulfonohydrazide and its Co(II), Ni(II) and Zn(II) complexes

Dergi Adı	Journal of Molecular Structure
Yayıncı	Elsevier B.V.
Açık Erişim	Hayır
ISSN	0022-2860
E-ISSN	1872-8014
CiteScore	8,0
SJR	0,628
SNIP	0,999

Synthesis, structural characterization, Hirshfeld surface analysis, antimicrobial activity, and DNA cleavage studies of (Z)-4-methyl-N’xx-(phenyl(pyridin-2-yl)methylene)benzenesulfonohydrazide and its Co(II), Ni(II) and Zn(II) complexes

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