Hydrogen-bonded networks in oxygen-coordinated monoamide complexes of zinc(II)
Bibliographic record
Abstract
The preparation of the bulky secondary amide N-(2,6-diisopropylphenyl)-2,2-dimethylpropanamide and the determination of its crystal structure at 173(2) K are reported. The structure displays disorder of the tBu methyl groups due to thermal motion and an infinite N–H····O=C hydrogen-bonded chain described by a [Formula: see text] graph set. Reaction of this amide with ZnCl2 or ZnBr2 in tetrahydrofuran (THF) results in dihalo-(tetrahydrofurano)-(N-(2,6-diisopropylphenyl)–2,2-dimethylpropanamido)-zinc(II) complexes (Cl, Br) for which the crystal structures have also been determined. These complexes, as well as a chloroform solvate of the dichloro-complex, contain N–H····X–Zn hydrogen-bonded chains described by [Formula: see text] graph sets. Evaporative crystallization results in the loss of both chloroform and THF to afford crystals determined to be bis(μ2-chloro)-dichloro-bis(N-(2,6-diisopropylphenyl)-2,2-dimethylpropanamido)-dizinc(II) by single crystal X-ray diffraction. This dimeric complex shows a complex network of N–H····Cl–Zn hydrogen bonds describable by [Formula: see text], [Formula: see text], and [Formula: see text] chains, small [Formula: see text] molecular “squares”, and larger [Formula: see text] rings.
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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 | 0.001 | 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".