Synthesis, crystal structure, spectroscopic and hirshfeld surface analysis, NCI-RDG, DFT computations and antibacterial activity of new asymmetrical azines

C Chiter, A Bouchama, TN Mouas, H Allal… - Journal of Molecular …, 2020‏ - Elsevier
In this paper, an easy and efficient access to two new asymmetrical azines Schiff bases as 1-
((E)-(((E)-furan-2-ylmethylene)-hydrazono) methyl) naphthalen-2-ol (I) and 1-((E)-(((E)-(1H …

Jahn-Teller distortion in SP-like [Cu (bipy)(triamine)]. 2BF4 complexes with novel NH… F/CH… F synthon: XRD/HSA-interactions, physicochemical, electrochemical …

A AlAli, M Al-Noaimi, A AlObaid, HA Khamees… - Journal of Molecular …, 2023‏ - Elsevier
Abstract New [Cu (bipy)(NNN)]. 2BF 4 water soluble dicationic complexes were made
available starting from [Cu (bipy) 2 Br] Br. The two complexes were isolated in excellent yield …

[HTML][HTML] Experimental and first-principles study of a new hydrazine derivative for DSSC applications

I Badran, S Tighadouini, S Radi, A Zarrouk… - Journal of Molecular …, 2021‏ - Elsevier
Hydrazine derivatives have a wide variety of applications in organic synthesis, material
science, medical treatments, as well as the dye-sensitized solar cells (DSSC). In this work …

Crystal structure, MEP/DFT/XRD, thione⇔ thiol tautomerization, thermal, docking, and optical/TD-DFT studies of (E)-methyl 2-(1-phenylethylidene) …

A Boshaala, MA Said, EA Assirey, ZS Alborki… - Journal of Molecular …, 2021‏ - Elsevier
Abstract As small-molecule (E)-methyl 2-(1-phenylethylidene) hydrazinecarbodithioate has
been prepared and characterized by X-ray single-crystal analysis. In order to elucidate the …

XRD/DFT/HSA-interactions in Cu (II) Cl/phen/ß-diketonato complex: Physicochemical, solvatochromism, thermal and DNA-binding analysis

MK Hema, I Warad, CS Karthik, A Zarrouk… - Journal of Molecular …, 2020‏ - Elsevier
This work proceeding with novel neutral water soluble complex of kind [CuCl (O–O)(N–
N)],[where O–O= ß-diketone, 4, 4, 4-trifluoro-1-phenylbutane-1, 3-dione (dione) and N–N= 1 …

Crystal structure, physicochemical, DFT, optical, keto-enol tautomerization, docking, and anti-diabetic studies of (Z)-pyrazol β-keto-enol derivative

S Tighadouini, O Roby, S Mortada, Z Lakbaibi… - Journal of Molecular …, 2022‏ - Elsevier
The new (Z)-pyrazol β-keto-enol as model-molecule has been prepared in accepted high
yield; the structure was investigated by X-ray single crystal diffraction (XRD) and Density …

Investigation of oxygen-enriched atmosphere combustion of oily sludge: Performance, mechanism, emission of the S/N-containing compound, and residue …

Z Wang, Z Wang, J Sun, Y Wang, Z Sun, K Ma… - Journal of Cleaner …, 2022‏ - Elsevier
It is an indispensable and important link to increasing the harmless treatment of oily sludge
at the end of the petrochemical production stage to achieve the goal of clean production …

Synthesis, Crystal structure, and Chromotropism properties of Dihalo N-2-ethanolpicolylamine Copper (II)

S Nadarkhani, H Golchoubian, A Shirvan - Journal of Molecular Structure, 2023‏ - Elsevier
Two copper (II) mononuclear complexes with the general formula [Cu (HL) X 2], which L= N-
2-ethanolpicolylamine and X= Cl, Br, were synthesized and characterized by elemental …

One-pot reproducible Sonosynthesis of trans-[Br (N⋂ N') Cu (µBr) 2Cu (N⋂ N') Br] dimer:[H…. Br S (9)] synthons, spectral, DFT/XRD/HSA, thermal, docking and novel …

A AlAli, HA Khamees, M Madegowda, A Zarrouk… - Journal of Molecular …, 2023‏ - Elsevier
Asymmetry diamine ligand was used to selectively prepare the trans-stereoisomer dimer of
type [Br (N⋂ N') Cu (µBr) 2 Cu (N⋂ N') Br] in a one-pot and high-yield sonosynthesis …

A new square pyramidal copper (II) complex [Cu (C10H24N4) Br] Br: Crystal structure, thermal analysis, Hirschfeld surfaces, electrical and semiconducting properties

W Maalej, P Guionneau, Z Elaoud - Journal of Molecular Structure, 2021‏ - Elsevier
A new organic-inorganic Cu (II) bromide complex material [Cu (C 10 H 24 N 4) Br] Br has
been synthesized by hydrothermal method. Blue-violet crystals are characterized by X‐ray …