Polar crystal of vanillylformamide through replacement of the alkene by an isosteric formamide group
Bibliographic record
Abstract
Vanillylformamide [systematic name: N-(4-hydroxy-3-methoxybenzyl)formamide], C9H11NO3, (II), has been synthesized from vanillylamine hydrochloride and studied by single-crystal X-ray diffraction. Compound (II) and the well known biologically active eugenol compound (I) can be considered to be `isosteres' of each other, since they share comparable molecular shape and volume. The product (II) crystallizes in the space group P1. In the crystal, the vanillylformamide molecules are linked mainly by N—H...O, O—H...O and Csp 2—H...O hydrogen bonds, forming infinite two-dimensional polar sheets. These two-dimensional layers pack in a parallel fashion, constructing a polar three-dimensional network. Except for van der Waals forces and weak Csp 3—H...O hydrogen bonds, there are no significant intermolecular interactions between the layers. A Cambridge Structural Database search revealed that vanillylamide-related crystals are scarce.
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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 | 0.001 |
| Science and technology studies | 0.000 | 0.000 |
| Scholarly communication | 0.001 | 0.000 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| Insufficient payload (model declined to judge) | 0.005 | 0.001 |
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".