Hydrazine-based Schiff base complexes of nickel/copper(II): synthesis, molecular and supramolecular, thermal, electrochemical, antibacterial, and computational studies
Bibliographic record
Abstract
The hydrazine-based Schiff base of 2-phenyl-1-((2-hydroxy)phenylethylidene)hydrazine (HL), synthesized from 2-hydroxy-acetophenone and 1-phenylhydrazine, reacts with nickel(II) and copper(II) acetate to give bis[2-phenyl-1-((2-oxo)phenylethylidene)hydrazinato-κ2N,O]Ni/Cu(II) (1 and 2), respectively. The molecular structure for HL shows two parallel identical molecules (A and B) with opposite orientations in the asymmetric unit of the crystal. The molecules exist in the usual enol-imine form, showing an expected intramolecular O–H···N hydrogen bond between the phenolic-H and imine-N atoms. Supramolecular packing analysis further reveals a bilayer-link via an intermolecular hydrogen bond between the imine-H and phenolate-O of symmetry-related molecules of A and B. Powder X-ray diffraction patterns suggest formation of HL, 1, and 2 with distinct phases. Electron impact (EI) mass spectra show the parent ion peak at m/z = 508 (1) and 513 (2). Thermal analysis reveals a reversible phase transformation from solid crystal to isotropic liquid for HL and an irreversible transition for 1 or 2. Cyclic voltammetry results suggest an irreversible transformation of two electron charge transfer pathway for 1 and 2 in DMF. Complex 2 exhibits significant antibacterial activity, while HL reveals moderate activity against Escherichia coli and Staphylococcus aureus bacteria. Experimental results of electronic spectra and molecular structure were authenticated by computational modeling.
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How this classification was reachedexpand
Full frame machine prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. The Gemma side is a direct model label for every work in the frame, read from the title-only record. The Codex side is a classifier learned from the 10,348 direct Codex labels and calibrated to design-weighted sample rates; fields without enough sample support carry no Codex call. Candidate is the union of the two sides; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels.
Distilled classifier scores by category (both heads)
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.000 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.000 | 0.000 |
| Research integrity | 0.000 | 0.000 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
Machine scores (provisional)
The two teacher heads of the student model, read on this work. A score orders the frame for review; it never asserts a category, and the validation status ships verbatim with every row.
Baseline scores from an immature model (maturity gate not passed, 7 training rounds). Scores rank; they never assert a category.
score_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from itClassification
machine, unvalidatedMachine predicted; a candidate call from one source (direct Gemma or distilled Codex), not a consensus.
How this classification was reached, model by model and score by score, is at the end of the page under "How this classification was reached".