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Record W2938009566 · doi:10.1107/s2056989019003864

Crystal structure of diethyl 2-amino-5-{4-[bis(4-methylphenyl)amino]benzamido}thiophene-3,4-dicarboxylate

2019· article· en· W2938009566 on OpenAlex

Why this work is in the frame

A frame that forgets how it found something cannot be audited. These are the routes that admitted this work.

affAt least one author lists a Canadian institution in the pinned OpenAlex snapshot.
fundA Canadian funder is recorded on the work.

Bibliographic record

VenueActa Crystallographica Section E Crystallographic Communications · 2019
Typearticle
Languageen
FieldChemistry
TopicCrystal structures of chemical compounds
Canadian institutionsUniversité de Montréal
FundersNatural Sciences and Engineering Research Council of CanadaCanada Foundation for Innovation
KeywordsChemistryIntramolecular forceThiopheneAmideRing (chemistry)Amine gas treatingHydrogen bondCrystal structureMoleculeRegioselectivityStereochemistryCrystallographyOrganic chemistryCatalysis

Abstract

fetched live from OpenAlex

In the title compound, C 31 H 31 N 3 O 5 S, the regioselective substitution of the thiophene is confirmed with the amine and the amide at the 2- and 5-positions, respectively. In the molecule, the thiophene ring is twisted by 12.82 (3)° with respect to the aromatic ring of the benzamido group. Intramolecular N—H...O hydrogen bonds are present involving the N atoms of the primary amine and the amide groups, forming S (6) ring motifs. In the crystal, centrosymmetrically related molecules are linked by pairs of N—H...O hydrogen bonds involving the amide carbonyl O atoms and the primary amine N atoms to form dimers of R 2 2 (16) ring motif.

Fetched live from OpenAlex and de-inverted. Abstracts are not stored in this database: the inverted indexes are 8.6 GB of the frame’s 9.3 GB of text, and the host has 13 GB free.

Full frame distilled prediction

Teacher imitation

Not 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.

metaresearch head score (Codex)0.001
metaresearch head score (Gemma)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Research integrity, Insufficient payload (model declined to judge)
Consensus categoriesMeta-epidemiology (narrow), Research integrity
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.958
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0010.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0020.002
Bibliometrics0.0020.004
Science and technology studies0.0010.002
Scholarly communication0.0000.001
Open science0.0050.002
Research integrity0.0010.003
Insufficient payload (model declined to judge)0.0040.000

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.

Opus teacher head0.011
GPT teacher head0.242
Teacher spread0.230 · how far apart the two teachers sit on this one work
Validation statusscore_only:v0-immature-baseline · verbatim from the scoring run: score_only means the number may rank works, and no category label ships from it