A novel copper (II) complex containing pyrimidine-4-carboxylic acid: Synthesis, crystal structure, DFT studies, and molecular docking

H Vural - Journal of Molecular Structure, 2022 - Elsevier
A new Cu (II) complex of pyrimidine-4-carboxylic acid was synthesized and characterized
through a combination of single-crystal XRD, Ultraviolet-Visible (UV-Vis), and Fourier …

New phenylisoxazole derivatives: Synthesis, spectroscopic, X-ray, IR, DFT calculation and biological activity studies

Y Zhang, Z Long, N Rao, Y Le, L Liu, L Yan - Journal of Molecular Structure, 2023 - Elsevier
A series of new phenylisoxazole derivatives were successfully designed and synthesized for
developing antitumor compounds. The final compounds were characterized through 1 …

DFT studies, Hirshfeld surface analysis and crystal structure of novel silver complex of sulfapyridine with secondary ligand pyridine

RP Dubey, UH Patel, SM Tailor - Molecular Crystals and Liquid …, 2017 - Taylor & Francis
Silver complex of sulfapyridine has been synthesized and characterized by IR, NMR and PL.
The crystal structure has been determined by X-ray diffraction technique. Silver complex of …

Binary Co‐Crystals of Quercetin: Synthesis, Structure, and Spectroscopic Characterization

U Maciołek, E Mendyk, M Kuśmierz… - ChemPlusChem, 2023 - Wiley Online Library
A mechanochemical method was used to obtain four new quercetin (QUE) co‐crystals.
Three co‐formers have the systems of the heterocyclic rings with the oxygen and nitrogen …

[HTML][HTML] Crystallographic, structural elucidation and electronic interactions of novel ampf crystals for biomedicinal use by theory and practice as an anti-diabetic agent

K SenthilKannan - Results in Chemistry, 2022 - Elsevier
Fumaric acid is the trans-isomer in the structural effectiveness of the titled salt of the Zwitter
ionic nature of the entitled specimen as C 6 H 9 N 2+. C 4 H 3 O 4−, the fumarate anions are …

[HTML][HTML] Intermolecular hydrogen bonding effects on the reaction of dianisidine, bisphenol A (BPA) and formaldehyde

A Martínez-Manjarres, R Quevedo - Results in Chemistry, 2023 - Elsevier
The synthesis of benzoxazines is a fundamental step in obtaining polybenzoxazine resins,
understanding its formation mechanism is important to improve the properties of these …

Physical properties and dielectric behavior of the poly(urethane‐urea) based on o‐dianisidine and renewable cross‐linkers

S Oprea, VO Potolinca, V Oprea - Journal of Applied Polymer …, 2021 - Wiley Online Library
The novelty of the poly (urethane‐urea) series consists in inclusion of o‐dianisidine units in
the main chain and cross‐linking with renewable biomaterials, unused compounds so far in …

Molecular structure, spectroscopic and DFT studies of 2-(4 ethoxyphenyl) isoindoline-1, 3-dione

M Evecen, H Tanak, G Duru, S Meral, AA Ağar - 2021 - nopr.niscpr.res.in
2-(4-Ethoxyphenyl) isoindoline-1, 3-dione molecule has been characterized by experimental
FT-IR and UV-visible spectroscopic methods. Density fuctional theory calculations of the …

[PDF][PDF] Molecular and Electronic Analysis of (7-Chloro-2-oxo-2H-chromen-4-yl)-methyl diethylcarbamodithioate by DFT and HF Calculations.

M Evecen, H Tanak - Acta Physica Polonica: A, 2019 - academia.edu
Coumarins are obtained from both natural products and synthetic methods and also their
derivatives possess potential biological activity such as antimicrobial [1], antifungal [2], anti …

Influencia de interacciones no covalentes en el curso de reacción entre derivados de bencidina, bisfenol A y formaldehído

HA Martinez Manjarres - repositorio.unal.edu.co
Estudios espectroscópicos y computacionales permitieron establecer que bisfenol A y o-
dianisidina se asocian por puentes de hidrógeno intermoleculares formando un arreglo …