Supramolecular structures of three configurational isomers of 1-phenylethanaminium malate(1–)
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Bibliographic record
Abstract
In rac-1-phenylethanaminium rac-malate(1−), C8H12N+·C4H5O5−, (I), the anions are linked by two inter-anion O—H⋯O hydrogen bonds into sheets generated by a glide plane and hence containing both enantiomers of the anion. The cations are linked to the anion sheets by three N—H⋯O hydrogen bonds, such that cations of R configuration are bonded to one face of the sheet and cations of S configuration are bonded to the other face. In (R)-1-phenylethanaminium (S)-malate(1−), C8H12N+·C4H5O5−, (III), the anions are again linked by two O—H⋯O hydrogen bonds, in one of which the H atom is disordered over two sites, into sheets very similar to those in (I) but which are generated in (III) by translation and so contain only a single enantiomer. The cations in (III) are linked to the anion sheets by three N—H⋯O hydrogen bonds, but the cations are bonded to only one face of the anion sheet. Co-crystallization of (R)-1-phenylethanamine with rac-malic acid gives the salt (R)-1-phenylethanaminium malate(1−) C8H12N+·C4H5O5−, (II), with a structure very similar to that of (III) but where only ca 75% of the anion sites are occupied by (S)-malate(1−), with the remaining 25% occupied by (R)-malate(1−). The layers in (II) show a significant displacement along the [001] direction compared with those in (III).
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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 | 0.001 |
| Bibliometrics | 0.000 | 0.001 |
| Science and technology studies | 0.000 | 0.002 |
| Scholarly communication | 0.000 | 0.000 |
| Open science | 0.002 | 0.001 |
| Research integrity | 0.001 | 0.001 |
| Insufficient payload (model declined to judge) | 0.001 | 0.000 |
Machine scores (provisional)
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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