Oxazoles XXII. The Cobalt(II) Coordination Chemistry of 2-(ortho-Anilinyl)-4,4-dimethyl-2-oxazoline: Syntheses, Properties, and Solid-State Structural Characterization
Bibliographic record
Abstract
Ethanol solutions of the cobalt(ii) halides react with an excess of2-(ortho-anilinyl)-4,4-dimethyl-2-oxazoline(1: i.e. 2-(2'-anilinyl)-4,4-dimethyl-4,5-dihydro-1,3-oxazole) togive isolable ?2-N,N'-bondedspecies of 1 in good to excellent yields. The complexesCoX2(1-?2-N,N')·(H2O)n have been isolated for X = Cl (2: n = 1/2),X = Br and I (3 and 4, respectively;n = 0); the solid-state structures (X-ray) are inaccordance with those suggested by UV-visible spectroscopy and conductivitymeasurements (i.e. non-ionic complexes with a pseudo-tetrahedral coordinationmotif around Co). In contrast, reaction of excess 1 withCo(NCS)2 forms the octahedral (UV-visible, X-ray)bis-isothiocyanato complexCo(NCS-?1-N')2(1-?2-N,N')2(5) with cis-oriented NCS groups andtrans-disposed oxazolines. Calculations at thePM3(tm) level of theory suggest that this isomer is closein energy to the four other possible (gas-phase) isomers. Treatment of ethanolsolutions of hydrated cobaltous nitrate with excess 1 yields amaterial analyzed as[Co(NO3)(1)(H2O)2](NO3)(6a) and a small amount (less than 1%) of a second complex(6b); the latter has been characterized (X-ray) as the hydratedoctahedral complex[Co(NO3-?1-O)(1-?2-N,N')2(OH2)](NO3).In this case, the nitrato and aqua groupings are located cis toone another and trans to the coordinated –NH2groups. Complex 6a is surmised to have a[Co(NO3-?2-O,O')2(1-?2-N,N')(OH2)2]NO3structure. Cobalt compounds 2–5 and 1have also been screened for their antifungal properties againstAspergillus niger, Aspergillus flavus,Candida albicans, and Saccharomycescerevisiae but were found to be inactive in this regard.
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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 | 0.001 |
| 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 | 0.001 |
| 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 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".