Authors Cinarli, M; Cinarli, E; Ataol, CY; Idil, O; Kariptas, E in ELSEVIER published article about CRYSTAL-STRUCTURE; SPECTROSCOPIC CHARACTERIZATION; INTERMOLECULAR INTERACTIONS; ANTIBACTERIAL ACTIVITY; COORDINATION BEHAVIOR; BIOLOGICAL-ACTIVITY; CHEMICAL ACTIVITY; DIAZO-COMPOUNDS; SCHIFF-BASES; X-RAY in [Cinarli, Murat] Ahi Evran Univ, Cent Res & Applicat Lab, TR-40100 Kirsehir, Turkey; [Cinarli, Esra] Ahi Evran Univ, Fac Sci, Dept Biol, TR-40100 Kirsehir, Turkey; [Ataol, Cigdem Yuksektepe] Cankiri Karatekin Univ, Fac Sci, Dept Phys, TR-18100 Cankiri, Turkey; [Idil, Onder] Amasya Univ, Fac Educ, Dept Basic Educ, TR-05000 Amasya, Turkey; [Kariptas, Ergin] Ahi Evran Univ, Fac Med, Dept Microbiol, TR-40100 Kirsehir, Turkey in 2019.0, Cited 65.0. Computed Properties of C12H9NO. The Name is Phenyl(pyridin-2-yl)methanone. Through research, I have a further understanding and discovery of 91-02-1
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 DET/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 Delta N (charge transfer). Hirshfeld surfaces of HL and (2) complex were investigated and the interaction energies between the molecules participating in C-H center dot center dot center dot O/pi 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. (C) 2019 Elsevier B.V. All rights reserved.
Computed Properties of C12H9NO. About Phenyl(pyridin-2-yl)methanone, If you have any questions, you can contact Cinarli, M; Cinarli, E; Ataol, CY; Idil, O; Kariptas, E or concate me.
Reference:
Pyridine – Wikipedia,
,Pyridine | C5H5N – PubChem