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Record W2013649572 · doi:10.1107/s1600536812037543

(<i>Z</i>)-<i>N</i>-(1-Ethoxyethylidene)-2,6-bis(propan-2-yl)anilinium chloride hemihydrate

2012· article· en· W2013649572 on OpenAlexaff
Leila Mokhtabad Amrei, Renè T. Boeré

Bibliographic record

VenueActa Crystallographica Section E Structure Reports Online · 2012
Typearticle
Languageen
FieldChemistry
TopicCrystal structures of chemical compounds
Canadian institutionsUniversity of Lethbridge
Fundersnot available
KeywordsChemistryProtonationHemihydrateImineDihedral angleHydrogen bondCrystallographyChlorideIsopropylIonSolventBenzeneAtom (system on chip)Medicinal chemistryMoleculeOrganic chemistryMaterials science

Abstract

fetched live from OpenAlex

In the title compound, C(16)H(26)NO(+)·Cl(-)·0.5H(2)O, the asymmetric unit consists of two independent cations, their respective chloride anions and a solvent water mol-ecule. Together they form a discrete crescent-shaped entity linked by hydrogen bonds from the central water atom to two Cl(-) ions and from the latter to two protonated imine groups. The geometries of the two independent cations are essentially the same. The planar N=C(O)CH(3) groups in each (r.m.s. deviations = 0.0011 and 0.0026 Å) form dihedral angles of 75.28 (5) and 79.10 (4)° with the benzene rings. In one cation, the methyl atoms of one of the isopropyl groups were modeled as disordered over two sets of sites, with refined occupancies of 0.589 (17) and 0.411 (17).

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.

How this classification was reachedexpand

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)0.000
metaresearch head score (Gemma)0.001
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Insufficient payload (model declined to judge)
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: none
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.945
Threshold uncertainty score0.999

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.001
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0000.001
Science and technology studies0.0010.000
Scholarly communication0.0000.001
Open science0.0010.000
Research integrity0.0010.002
Insufficient payload (model declined to judge)0.0030.000

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 head0.009
GPT teacher head0.244
Teacher spread0.234 · 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

Classification

machine, unvalidated

Machine predicted; a candidate call from one teacher head, not a consensus.

Study designBench or experimental
Domainnot available
GenreEmpirical

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".

Quick stats

Citations0
Published2012
Admission routes1
Has abstractyes

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Same venueActa Crystallographica Section E Structure Reports OnlineSame topicCrystal structures of chemical compoundsFrench-language works237,207