1,2-Bis-(1-{3-pyridyl-}3-methyltriazen-3-yl)ethane: Synthesis and X-ray crystal structure
Bibliographic record
Abstract
3-Aminopyridine is diazotized in the conventional manner and the diazonium salt coupled with N,N ′-dimethylethylenediamine to afford the title compound (1), which is a potential antitumour agent. The compound has been characterized by spectroscopic methods. The 1H NMR spectrum shows evidence of rotational conformerism, from the observation of broadening of the N-methyl signals in the room-temperature spectrum. Low-temperature NMR spectra (down to 223 K) show the presence of three distinct rotamers. The crystal structure of 1,2-bis-(1-{3-pyridyl-}3-methyltriazen-3-yl)ethane (1) has been determined by single crystal X-ray diffraction analysis. The bis-triazene (1) exists as the "staggered" conformation in the solid state, with an "antianti" configuration around the NN bond of the triazene units. The crystal structure of 1 is compared with the closely related bis-triazene 2 and also compared with the simple mono-triazene 3. Crystal data for 1, C14H18N8: orthorhombic, space group Pbca, a = 11.2550(8) Å, b = 8.8507(6) Å, c = 15.0069(10) Å, β = 90°, and V = 1494.91(18) Å3, for Z = 4.Key words: triazene, bis-triazene, pyridine, X-ray, VT NMR, diazonium coupling.
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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) | 0.002 | 0.002 |
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".