Two-Component Supramolecular Adduct Based on Hydroxyl Substituted Triptycene with 4,4’-Bipyridine: Crystal Structure Analysis
Bibliographic record
Abstract
Abstract A new cocrystal solvate possessing 2,7,14-trihydroxytriptycene (THT) and 4,4′-bipyridine (bpy) is grown from a MeOH solution by solvent evaporation to form THT·0.5bpy·MeOH·H2O (1). The crystal structure of 1 is determined by single crystal X-ray diffraction in the monoclinic space group C2/c. In new cocrystal solvate 1, the asymmetric unit consists of one unit of THT, a half unit of disordered bpy, one unit of a water molecule, and one MeOH molecule. A 2D supramolecular architecture is observed in 1, which links THT, bpy and solvent water molecules via classical O–H⋯N and O–H⋯O hydrogen bonds. The MeOH and water molecules entrapped in 1 form stabilizing hydrogen bonds with the surrounding “trimeric cocrystals”. Furthermore, we investigate whether these hydrogen bonds stabilize the crystal packing or not. The calculations are carried out using Hydrogen Bond Statistics and Full Interaction Maps packages, and the results exhibit the common bonding behaviour in terms of bond distances and strength.
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How this classification was reachedexpand
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) | 0.001 | 0.001 |
| 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 | 0.001 |
| Insufficient payload (model declined to judge) | 0.003 | 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 teacher head, 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".