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Record W4317036223 · doi:10.1139/cjc-2022-0057

Synthesis and thermal stability of a novel polyfunctional pyridine-based derivative featuring amino, nitro, and guanidine groups

2023· article· en· W4317036223 on OpenAlexvenueno aff
Xuqin Liu, Lina Hao, Renfa Zhang, Congming Ma, Peng Ma

Bibliographic record

VenueCanadian Journal of Chemistry · 2023
Typearticle
Languageen
FieldEngineering
TopicEnergetic Materials and Combustion
Canadian institutionsnot available
Fundersnot available
KeywordsChemistryMonoclinic crystal systemCrystal structureCrystallographyDetonationGuanidinePyridineCovalent bondMoleculeDerivative (finance)Thermal decompositionThermal stabilityNitroMedicinal chemistryOrganic chemistry

Abstract

fetched live from OpenAlex

A new pyridine derivative 1-(4-amino-3,5-dinitropyridin-2-yl) guanidine (ADG) was synthesized through nitration and substitution reaction using 4-amino-2-cholopyridine as raw material. Its structure was characterized by spectroscopy, nuclear magnetic resonance, and mass spectrometry. The crystal of ADG is monoclinic, space group Pbca with crystal parameters of a = 7.23 Å, b = 14.56 Å, c = 17.93 Å, α = β= γ= 90 Å, V = 1911 Å 3 , μ = 0.143 mm −1 , and Z = 8. This new molecule exhibits moderate density ( ρ= 1.677 g cm −3 ), good thermal stability with a decomposition temperature of 217 °C, and moderate detonation property with detonation pressure of 20.83 GPa and detonation velocity of 7.00 km s −1 . The Hirshfeld surface analysis revealed a significant contribution of weak interactions to the packing forces for molecules. Electron localization function analysis indicates that there is substantial electron localization in regions of C–H, N–H, and N–O covalent bond sites.

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 categoriesnone
Consensus categoriesnone
DomainCandidate signal: none · Consensus signal: none
Study designCandidate signal: Bench or experimental · Consensus signal: Bench or experimental
GenreCandidate signal: Empirical · Consensus signal: Empirical
Teacher disagreement score0.034
Threshold uncertainty score0.329

Codex and Gemma teacher scores by category

CategoryCodexGemma
Metaresearch0.0000.000
Meta-epidemiology (narrow)0.0000.000
Meta-epidemiology (broad)0.0000.000
Bibliometrics0.0000.000
Science and technology studies0.0000.000
Scholarly communication0.0000.000
Open science0.0000.000
Research integrity0.0000.000
Insufficient payload (model declined to judge)0.0000.000

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 head0.012
GPT teacher head0.174
Teacher spread0.163 · 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.

The models applied no category: nothing in the taxonomy fit this work.
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
Published2023
Admission routes1
Has abstractyes

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