Synthesis, spectroscopic characterizations, single crystal XRD, supramolecular assembly inspection via hirshfeld surface analysis, and DFT study of a hydroxy …

H Inac, M Ashfaq, N Dege, M Feizi-Dehnayebi… - Journal of Molecular …, 2024 - Elsevier
The current work describes the synthesis, characterization, and theoretical investigation of a
copper complex with a hydroxy functionalized Schiff base ligand. The complex [Cu (DHBEE) …

One-dimensional polymer of copper with salicylic acid and pyridine linkers: Synthesis, characterizations, solid state assembly investigation by hirshfeld surface …

MN Tahir, KS Munawar, M Feizi-Dehnayebi… - Journal of Molecular …, 2024 - Elsevier
A new one-dimensional polymeric copper complex [Cu (DNSA) py] with salicylic acid and
pyridine was synthesized and characterized by many techniques, including FT-IR, UV …

Polymorphs of Substituted p-Toluenesulfonanilide: Synthesis, Single-Crystal Analysis, Hirshfeld Surface Exploration, and Theoretical Investigation

M Riaz, A Ali, M Ashfaq, M Ibrahim, N Akram… - ACS …, 2023 - ACS Publications
Polymorphism is an exciting feature of chemical systems where a compound can exist in
different crystal forms. The present investigation is focused on the two polymorphic forms …

Molecular structure, computational studies and nonlinear optical properties of a new organic chalcone crystal

H Belahlou, S Abed, M Bouchouit, S Taboukhat… - Journal of Molecular …, 2023 - Elsevier
A new conjugated chalcone compound (Z)-2-(1-(1-(2, 4-dimethylphenyl)-3-oxo-3-
phenylprop-1-en-2-yl) pyridin-2 (1H) ylidene) malononitrile was prepared and structurally …

A Hydrazone Derivative: Synthesis, Crystal Structure, Supramolecular Assembly Exploration by Hirshfeld Surface Analysis and Computational Study

M Kurbanova, M Ashfaq, A Sadigova… - Journal of Structural …, 2024 - Springer
The diazotization reaction of o-trifluoromethyl aniline from aromatic amines with 5, 5-
dimethylcyclohexane-1, 3-dione was studied, as a result, 2-(2-(o-trifluoromethylphenyl) …

Mixed ligand complexes of Pt (II) Tertiary phosphines and 1-(benzo [d] thiazol-2-yl)-3-phenylthiourea; Crystal structure and DFT of [Pt (C14H9N3S2)(dppe)]. CH2Cl2

AA Alwagdani, AS Faihan, M Ashfaq… - Journal of Molecular …, 2025 - Elsevier
This paper describes a series of Pt (II) thiourea complexes (1–4). The complexes were
synthesized by a reaction between [PtCl 2 (diphos)] and the ligand 1-(benzo [d] thiazol-2-yl) …

Synthesis, structure, spectra, NLO behavior, and in-silico study on anti-tumor and anti-tuberculosis efficacy of (Z)-3-((Z)-3-phenylallylidene) benzo [4, 5] imidazo [1, 2-c] …

R Rahmani, A Djafri, H Khaldi, Y Megrouss… - Journal of Molecular …, 2025 - Elsevier
In this study, we report the synthesis of (Z)-3-((Z)-3-phenylallylidene) benzo [4, 5] imidazo [1,
2-c] thiazole-1 (3H)-thione (ThBMT). This compound belongs to an important group of …

A Slightly Distorted Square Pyramidal Nickel (II) Complex: Synthesis, Characterizations, X-ray Crystal Structure, Anticancer Activity, Electrochemistry, DFT and …

RA Saleh, HA Mohamad, M Ashfaq, SA Al-Jibori… - Chemistry Africa, 2024 - Springer
Abstract Treatment of NiCl2. 6H2O with two equivalents of 1, 2-bis (diphenylphosphino)
ethane (dppe) in MeOH/CH2Cl2 afforded [NiCl (dppe) 2] Cl. CH2Cl2 in 89% yield. The …

Thiourea Derivative Metal Complexes: Spectroscopic, Anti-Microbial Evaluation, ADMET, Toxicity, and Molecular Docking Studies

ATF Al-Halbosy, AA Hamada, AS Faihan, AM Saleh… - Inorganics, 2023 - mdpi.com
The treatment of N-Phenylmorpholine-4-carbothioamide (HPMCT) with bivalent metal ions
in a 2: 1 mol ratio without a base present affords [MCl2 (κ 1S-HPMCT) 2]{M= Cu (1), Pd (2) …

Crystal structure, supramolecular assembly exploration by Hirshfeld surface analysis and DFT inspection of the synthesized functionalized crystalline anilide

M Ashfaq, MN Tahir, G Bogdanov, A Ali… - Journal of the Iranian …, 2023 - Springer
The current research work is about the synthesis of functionalized crystalline anilide, ie,(Z)-4-
((2-nitrophenyl) amino)-4-oxobut-2-enoic acid (NAOB) and its experimental and theoretical …