Hydrogen-bonded adducts of triphenylsilanol with diamines: a finite ten-molecule aggregate, and chain, sheet and framework structures built from O—H...O, O—H...N and C—H...π(arene) hydrogen bonds
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Bibliographic record
Abstract
The structures of five hydrogen-bonded adducts of triphenylsilanol, Ph3SiOH, with diamines have been determined. In the 4:1 adduct formed with 1,4-diazabicyclo[2.2.2]octane, (Ph3SiOH)4.C6H12N2 (I) (triclinic, P1, Z' = 2), there are two independent five-component aggregates built from O-H...N and O-H...O hydrogen bonds, in one of which the diamine exhibits orientational disorder: these two aggregates are linked into a cyclic ten-molecule unit by means of two independent C-H...pi(arene) hydrogen bonds. The 4:1 adduct formed with 1,2-bis(4-pyridyl)ethene, (Ph3SiOH)4.C12H10N2 (II) (triclinic, P1, Z' = 0.5), forms a similar five-component aggregate which lies across a centre of inversion: a single C-H...pi(arene) hydrogen bond links these aggregates into a molecular ladder. With N,N'-dimethylpiperazine, triphenylsilanol forms a 2:1 adduct, (Ph3SiOH)2.C6H14N2 (III) (monoclinic, P2(1)/c, Z' = 0.5), in which a three-component aggregate built from O-H...N hydrogen bonds lies across a centre of inversion: two independent C-H...pi(arene) hydrogen bonds link these aggregates into sheets. In the hydrated 2:1 adduct formed with 1,2-bis(4'-bipyridyl)ethane, (Ph3SiOH)2.C12H12N2.H2O (IV) (triclinic, P1, Z' = 1), a combination of two independent O-H...O and two independent N-H...O hydrogen bonds links the five molecular components into a centrosymmetric eight-molecule aggregate, and six independent C-H...pi(arene) hydrogen bonds link these chains into a continuous three-dimensional framework structure. In the dihydrated 2:1 adduct formed with 4,4'-bipyridyl, (Ph3SiOH)2.C10H8N2.(H2O)2 (V) (triclinic, P1, Z' = 1), a combination of four independent O-H...O and two independent N-H.O hydrogen bonds links the five molecular components into a chain of rings, and four independent C-H...pi(arene) hydrogen bonds link these chains into a continuous three-dimensional framework structure.
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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) | 0.001 | 0.001 |
| Meta-epidemiology (broad) | 0.001 | 0.000 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.001 | 0.003 |
| Scholarly communication | 0.000 | 0.001 |
| Open science | 0.001 | 0.000 |
| Research integrity | 0.000 | 0.001 |
| 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