In the title compound, C(22)H(28)O(3), the dihedral angle between the benzene rings is 3.47 (13)° and the five-membered furan ring is essentially planar with a largest deviation of 0.0052 (14) Å. The Csp(2)-Csp(2) bond length between the two benzene rings [1.443 (3) Å] is considerably shorter than those between the benzene and tertiary C atoms [1.538 (3) and 1.530 (3) Å], which are sp(2)-sp(3) hybridized. C-H⋯π inter-actions involving the furan and benzene rings are found in the crystal structure.
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http://dx.doi.org/10.1107/S1600536811048379 | DOI Listing |
Phys Chem Chem Phys
January 2025
School of Mechanical & Vehicle Engineering, Linyi University, Linyi, Shandong 276000, China.
Molecular dynamics simulations demonstrate that regular conical helices of poly(-phenylene) (PPP) chains can be constructed inside the confined space of single-walled carbon nanocones (CNCs). The translocation displacement of the PPP chain combined with the change of the system total potential energy including each energy component and structural parameters of the formed conical helix is discussed to deeply explore the microstructure evolution, driving forces and dynamic mechanisms. In addition, the influence of chain length, cone angle, temperature, chain number, linked position of benzene rings and the form of Lennard-Jones potential on the helical encapsulation is further studied.
View Article and Find Full Text PDFFood Sci Nutr
January 2025
Agricultural Extension Directorate, MAAR Damascus Syria.
Coumarins, a group of naturally occurring compounds, have been reported to demonstrate anticancer potential. These substances, distinguished by their combined benzene and α-pyrone rings, have been demonstrated to impact multiple cellular mechanisms essential for the initiation and advancement of cancer. These agents work in different ways that prevent different tumor cells from growing, spreading, and increasing.
View Article and Find Full Text PDFAnal Chim Acta
January 2025
The Education Ministry Key Laboratory of Resource Chemistry, Joint International Research Laboratory of Resource Chemistry, Ministry of Education, Shanghai Key Laboratory of Rare Earth Functional Materials, Shanghai Municipal Education Committee Key Laboratory of Molecular Imaging Probes and Sensors, Shanghai Frontiers Science Center of Biomimetic Catalysis and College of chemistry and materials science, School of Environmental and Geographical Sciences. Shanghai Normal University, Shanghai, 200234, People's Republic of China. Electronic address:
Background: Polycyclic aromatic hydrocarbons (PAHs) are one of the most dangerous persistent organic pollutants in the environment. Due to the discharge of chemical plants and domestic water, the existence of PAHs in sea water and lake water is harmful to human health. A method for rapid detection and removal of PAHs in water needs to be developed.
View Article and Find Full Text PDFMini Rev Med Chem
January 2025
Department of Chemistry, Kurukshetra University, Kurukshetra, Kurukshetra, 136119, India.
Heterocyclic compounds are increasingly used in medicinal chemistry because they are the main components of many biological processes and materials. Benzimidazole remains the core center of the heterocyclic chemical group, with essential traits such as six-five-member connected rings and two nitrogen atoms at the 1,3 position in a six-membered benzene and five-membered imidazole- fused ring system. Molecules with benzimidazole derivatives serve important functions as therapeutic agents and have shown excellent results in clinical and biological research.
View Article and Find Full Text PDFJ Fluoresc
January 2025
Scientific and Educational and Innovation Center for Chemical and Pharmaceutical Technologies, Ural Federal University named after the First President of Russia B.N. Yeltsin, Ekaterinburg, 620002, Russian Federation.
Since corrosion causes significant harm to the environment and economy, sustainable corrosion inhibitors are essential. This study set out to examine Anti-corrosion ability of a number of closely related polycyclic compounds of flavone derivatives, namely 5,7-dimethoxyflavone (1), 4',5,7-trimethoxyflavone (2), 3',4',5'-trimethoxyflavone (3), 5-hydroxy-3,3',4',7-tetramethoxyflavone (4), tangeretin (5), 3,3',4',5,6,7,8-heptamethoxyflavone (6), 3',5,7-trihydroxy-4',5',6-trimethoxyflavone (7) and 3',4',5,7-tetrahydroxy-3,6,8-trimethoxyflavone (8), using the DFT/B3LYP/6-311 + + G(d, p) basis set. Monte Carlo simulations were used to reveal the adsorption of the investigated compounds on the Cu(111) surface.
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