Molecular Organization in Crystals of Bis(diaminotriazinyl)-Substituted Derivatives of Benzene, Pyridine, and Pyrazine
Why this work is in the frame
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Bibliographic record
Abstract
The bis(diaminotriazinyl)-substituted derivatives of benzene, pyridine, and pyrazine 1–6 were made to test the ability of the 4,6-diamino-1,3,5-triazinyl group (DAT) to direct molecular organization by hydrogen bonding. Analysis of the structures of compounds 1–6 by X-ray crystallography revealed that the DAT groups control association by forming hydrogen bonds according to the well-established motifs I–III. The resulting association normally produces complex networks consisting of tapes, rings, and sheets. 1,2-Disubstituted compounds 1–3 have structures in which the DAT groups do not lie close to the plane of the aryl or heteroaryl core, whereas 1,3-disubstituted compounds 4–6 adopt flattened conformations. The observed structures of compounds 1–6, which include novel embraces and rings held together by hydrogen bonds, highlight the special ability of motifs based on DAT groups to direct molecular association.
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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 | 0.000 | 0.000 |
| Meta-epidemiology (narrow) | 0.000 | 0.000 |
| Meta-epidemiology (broad) | 0.000 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| 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) | 0.000 | 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