Bis(4-methoxychalcone 4-ethylthiosemicarbazonato-κ<sup>2</sup> <i>N</i> <sup>1</sup>,<i>S</i>)zinc(II): crystal structure and Hirshfeld surface analysis
Why this work is in the frame
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Bibliographic record
Abstract
The title Zn II complex, [Zn(C 19 H 20 N 3 OS) 2 ] {systematic name: bis[( N -ethyl- N ′-{( Z )-[(2 E )-3-(4-methoxyphenyl)-1-phenylprop-2-en-1-ylidene]amino}carbamimidoyl)sulfanido]zinc(II)}, features a tetrahedrally coordinated Zn II ion within an N 2 S 2 donor set provided by two N , S -chelating thiosemicarbazone anions. The resulting five-membered Zn,C,N 2 ,S chelate rings adopt different conformations, i.e . almost planar and an envelope with the Zn atom being the flap atom. The configuration about the imine bond within the chelate ring is Z but those about the exocyclic imine and ethylene bonds are E . In the crystal, supramolecular [100] chains mediated by thioamide-N—H...S(thione) hydrogen bonds and eight-membered thioamide {...HNCS} 2 synthons are observed. A range of interactions, including C—H...O, C—H...π, C—H...π(chelate ring) and π(methoxybenzene)—π(chelate ring) consolidate the packing. The Hirshfeld surface analysis performed on the title complex also indicates the influence of the interactions involving the chelate rings upon the packing along with the more conventional contacts.
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Full frame distilled prediction
Teacher imitationNot calibrated prevalence, not ground truth. Human validation pending. Learned from the 10,348 direct Codex labels and 10,348 direct Gemma labels. Candidate is the union of thresholded teacher heads; consensus is their intersection. These outputs are machine_predicted_unvalidated and are not human labels or direct frontier model labels.
Codex and Gemma teacher scores by category
| Category | Codex | Gemma |
|---|---|---|
| Metaresearch | 0.001 | 0.001 |
| Meta-epidemiology (narrow) | 0.002 | 0.002 |
| Meta-epidemiology (broad) | 0.002 | 0.002 |
| Bibliometrics | 0.002 | 0.010 |
| Science and technology studies | 0.004 | 0.006 |
| Scholarly communication | 0.001 | 0.001 |
| Open science | 0.005 | 0.004 |
| Research integrity | 0.002 | 0.004 |
| Insufficient payload (model declined to judge) | 0.002 | 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 it