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Record W2888336642 · doi:10.1107/s2056989018011404

A structural study of 2,4-dimethylaniline derivatives

2018· article· en· W2888336642 on OpenAlexafffund
S.C. Penner, Maryam Kalvandi, J.S. Ritch

Bibliographic record

VenueActa Crystallographica Section E Crystallographic Communications · 2018
Typearticle
Languageen
FieldChemistry
TopicCrystallography and molecular interactions
Canadian institutionsUniversity of Winnipeg
FundersUniversity of Winnipeg
KeywordsAnilineChemistryHalogenMedicinal chemistryAmine gas treatingDerivative (finance)PiperazineDimethylanilineCocrystalHydrogen bondAlkylStereochemistryOrganic chemistryMolecule

Abstract

fetched live from OpenAlex

Crystallographic studies of nitrogen-containing small molecules aid in the elucidation of their structure–activity relationships and modes of aggregation. In this study, two previously synthesized molecules are crystallographically characterized for the first time. Reaction of 2,4-dimethylaniline with N -bromosuccinimide affords the ortho -brominated derivative 2-bromo-4,6-dimethylaniline ( 1 ; C 8 H 10 BrN), which sublimates in vacuo to afford crystals featuring hydrogen-bonded chains as well as Type I halogen–halogen interactions. Conversely, alkylation of two equivalents of 2,4-dimethylaniline with 1,2-dibromoethane affords a separable mixture of N , N ′-bis(2,4-dimethylphenyl)piperazine ( 2 ; C 20 H 26 N 2 ), which was crystallographically characterized, as well as N , N ′-bis(2,4-dimethylphenyl)ethylenediamine ( 3 ).

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)0.000
Version: codex-gemma-dda1882f352aValidation status: machine_predicted_unvalidated
Candidate categoriesMeta-epidemiology (narrow), Science and technology studies, 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 score0.953
Threshold uncertainty score1.000

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0010.001
Meta-epidemiology (broad)0.0010.001
Bibliometrics0.0020.004
Science and technology studies0.0010.002
Scholarly communication0.0000.000
Open science0.0020.001
Research integrity0.0000.001
Insufficient payload (model declined to judge)0.0010.000

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 head0.027
GPT teacher head0.294
Teacher spread0.267 · 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

Citations2
Published2018
Admission routes2
Has abstractyes

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