Crystal Structure, Supramolecular Organization, Hirshfeld Analysis, Interaction Energy, and Spectroscopy of Two Tris(4-aminophenyl)amine-Based Derivatives DOI Creative Commons

Mayra M. Luna-Martínez,

Marcos Morales-Santana, José Martín Santiago-Quintana

и другие.

Crystals, Год журнала: 2024, Номер 14(10), С. 855 - 855

Опубликована: Сен. 29, 2024

The use of tris(4-aminophenyl)amine (TAPA) as central to the synthesis both polyimines and polyimides covalent organic frameworks inorganic cages, among others, has grown in last few years. resulting materials exhibit high performance their area application. In this contribution, crystal structures two TAPA derivatives, triethyl (nitrilotris(benzene-4,1-diyl))tricarbamate (1) 2,2′,2″-((nitrilotris(benzene-4,1-diyl))tris(azanediyl))tris(2-oxoacetate) (2), are described. molecular supramolecular compounds were compared between them with analogous compounds. analyses vibrational 13C-CPMAS NMR spectroscopies, well thermal stability, included corelated structure. Hirshfeld surface analysis on derivatives revealed stabilization network via amide N—H∙∙∙O interactions dispersive nature carbamate, whereas carbonyl–carbonyl also played a competitive role arrangement oxamate. Interaction energy DFT calculations performed at B3LYP/6-31G(d,p) level allowed us estimate contributions several terms stability lattices.

Язык: Английский

Synthesis, X-ray Structure, DFT, Hirshfeld Surface, QTAIM/RDG and Molecular Docking Analysis of 3-methyl-4-nitro-1,1-biphenyl (3-MNB) DOI

Neha Kumari,

Daljeet Singh, Archana Akaram Yadav

и другие.

Journal of Chemical Crystallography, Год журнала: 2025, Номер unknown

Опубликована: Март 21, 2025

Язык: Английский

Процитировано

0
Pyrazol-3-yldiazonium Salts as Key Reagents for C–C Bond Formation and Pyrazole-Containing Heterocycle Synthesis DOI
Andreas Schmidt, Yu. V. Ostapiuk, Oksana V. Barabash

и другие.

Synthesis, Год журнала: 2025, Номер unknown

Опубликована: Май 20, 2025

Abstract A novel application of 1-methylpyrazol-3-yldiazonium salts in the Meerwein reaction was introduced. These diazonium reacted with α,β-unsaturated functionalized compounds under conditions to yield pyrazole-containing building blocks, which subsequently allowed cyclization reactions bisnucleophiles for synthesis pyrazol-3-yl-containing heterocyclic systems. In this way, 2-aminothiazole, 2-aminoselenazole, thiazolidin-4-one, selenazolidin-4-one, 3-hydroxythiophene, and 3-aminothiophene rings were efficiently prepared.

Язык: Английский

Процитировано

0
Novel Al(OH)3 and Ti/Fe@Al(OH)3 nano catalyzed of N-(3-((E)-3-(4-Adamant-1-yl)-phenyl) acryloyl) phenyl) quinoline-2-carboxamide Synthesis and its Molecular Docking, Quantum chemical Studies DOI Creative Commons

C. Thirumurugan,

R. Thirumalaisamy,

Appaswami Lalitha

и другие.

Chemical Physics Impact, Год журнала: 2025, Номер unknown, С. 100886 - 100886

Опубликована: Май 1, 2025

Язык: Английский

Процитировано

0
Crystal Structure, Supramolecular Organization, Hirshfeld Analysis, Interaction Energy, and Spectroscopy of Two Tris(4-aminophenyl)amine-Based Derivatives DOI Creative Commons

Mayra M. Luna-Martínez,

Marcos Morales-Santana, José Martín Santiago-Quintana

и другие.

Crystals, Год журнала: 2024, Номер 14(10), С. 855 - 855

Опубликована: Сен. 29, 2024

The use of tris(4-aminophenyl)amine (TAPA) as central to the synthesis both polyimines and polyimides covalent organic frameworks inorganic cages, among others, has grown in last few years. resulting materials exhibit high performance their area application. In this contribution, crystal structures two TAPA derivatives, triethyl (nitrilotris(benzene-4,1-diyl))tricarbamate (1) 2,2′,2″-((nitrilotris(benzene-4,1-diyl))tris(azanediyl))tris(2-oxoacetate) (2), are described. molecular supramolecular compounds were compared between them with analogous compounds. analyses vibrational 13C-CPMAS NMR spectroscopies, well thermal stability, included corelated structure. Hirshfeld surface analysis on derivatives revealed stabilization network via amide N—H∙∙∙O interactions dispersive nature carbamate, whereas carbonyl–carbonyl also played a competitive role arrangement oxamate. Interaction energy DFT calculations performed at B3LYP/6-31G(d,p) level allowed us estimate contributions several terms stability lattices.

Язык: Английский

Процитировано

0