Synthesis and Crystal Structure of 1-(Trifluoromethyl)-1-(propioloyl)-(E)-3-oxo-(2-thienyl)-(2-naphthylamine)
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Bibliographic record
Abstract
The title compound has synthesized and its crystal structure was determined by X-ray analysis. The crystal belongs to monoclinic, space group C2/c with a = 10.413(3), b = 16.080(5), c = 19.188(6) ? b = 94.023(7), V = 3205(2) 3, Z = 8, Dc =1.440 g/cm3, F(000) = 1424, m(MoKa) = 0.238 mm-1, S = 0.896, R = 0.0454 and wR = 0.0998 for 1914 observed reflections with I ≥ 2s(I). In the title compound (C18H12F3NOS), the side-chain carbonyl group, the adjacent double bond and the amine N from 2-naphthylamine are essentially coplanar with the largest deviation from this plane being 0.018(2) ?for atom C(3). The dihedral angle between the mean plane and the thienyl ring is 4.24(3)? A strong intramolecular NH…O hydrogen bond (N…O 2.666(3) ?and NH…O 142(3)) was observed, which leads to an enamine tautomer in the crystal.
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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) | 0.000 | 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 | 0.000 |
| Insufficient payload (model declined to judge) | 0.004 | 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