The asymmetric unit of the title compound, {[Cu2(C6H2O5)2(C12H8N2)2(H2O)3]·C3H7NO} n , contains two Cu(II) atoms, two furan-2,5-dicarboxyl-ate (L) ligands, two 1,10-phenanthroline (phen) ligands, three coordinating water mol-ecules and one N,N-dimethyl-formamide solvent mol-ecule. Each Cu(II) atom is coordinated by two N atoms from one phen ligand, two O atoms from two L ligands and two water mol-ecules in a distorted octa-hedral geometry. The main difference between the environments of the two independent Cu atoms is in the Cu-Owater distances, which are 2.415 (2) and 2.639 (2) Å for one Cu(II) atom and 2.3560 (19) and 2.911 (4) Å for the other. Ligands L and one independent water mol-ecule bridge the Cu(II) atoms, forming corrugated polymeric layers parallel to the ab plane. Inter-molecular O-H⋯O and C-H⋯O hydrogen bonds consolidate the crystal packing.
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http://dx.doi.org/10.1107/S1600536812046041 | DOI Listing |
Dalton Trans
March 2025
Faculty of Chemistry, University of Wrocław, F. Joliot-Curie 14, 50-383 Wrocław, Poland.
, a Gram-positive pathogen, is a primary causative agent of dental caries. It modifies the oral biofilm architecture on tooth enamel and, like other bacteria, requires transition metal ions such as Zn(II), Cu(II), and Ni(II) for survival and virulence. Physiological salivary Zn(II) levels are insufficient for optimal bacterial growth, prompting to develop a specialized ABC transport system comprising AdcA, AdcB, and AdcC.
View Article and Find Full Text PDFJ Mol Model
February 2025
Laboratory of Materials Chemistry Catalysis and Reactivity, Department of Chemistry, Faculty of Exact Sciences and Informatics, Hassiba Benbouali University of Chlef, Ouled Fares Chlef, P.O. Box 78C, 02180, Chlef, Algeria.
Context: This research focuses on the theoretical study of six push-pull molecules composed of conjugated bridges based on porphyrin and metalloporphyrins where the metals used are Fe(II), Co(II), Ni(II), Cu(II), and Zn(II); these bridges are linked at their ends by acceptor groups (-NO) and donors (-N(CH)) at the meso positions of the cycles mentioned before. The CAM-B3LYP, M08HX, and MN15 functionals tend to describe well the systems studied in non-linear optics NLO in addition to the use of the basis set 6-31 + + G(d,p) which is considered to be the adequate and least expensive basis set. The highest values of the first static hyperpolarizabilities (β) are assigned to the two molecules 2A and 3A; the corresponding values are as follows: β (2A) = 46.
View Article and Find Full Text PDFActa Crystallogr E Crystallogr Commun
February 2025
The title salt (systematic name: 2-methyl-4-oxo-3,4-dihydroquinazolin-1-ium chloride), [CuCl(CHN)](ClO), is comprised of a mononuclear complex cation [Cu(phen)Cl] (phen is 1,10-phenanthroline) and a perchlorate anion, ClO , both with point group symmetry 2. The Cu atom has a slightly distorted trigonal-bipyramidal coordination environment, defined by a NCl coordination set with the Cl atom and two N atoms at the equatorial sites. In the crystal, each phen ring is parallel to neighboring phen rings.
View Article and Find Full Text PDFAnal Chem
February 2025
Modern Research Center for Traditional Chinese Medicine, Beijing Research Institute of Chinese Medicine, Beijing University of Chinese Medicine, East Road of North Third Ring, Chaoyang District, Beijing 100029, China.
Enantiomeric measurement of complicated matrices always challenges LC-MS/MS. Efforts were made here to pursue a fit-for-purpose chiral selector (CS) for LC-MS/MS and to clarify the enantioselective mechanisms. After assaying diverse candidates for 22 pairs of enantiomers, differentiation was successful for 15 pairs when employing [Cu(l-Phe)-H] as the CS.
View Article and Find Full Text PDFNano Lett
March 2025
Institute of Environment, Hefei Comprehensive National Science Center, Hefei 230088, China.
Due to the impediments of spatial and temporal resolution, the comprehension of microdynamic processes still remains limited, which seriously hinders the advancement of catalyst regulating and the expansion of application. Herein, the efficient selective bimetallic atomic electrode interface was cultivated via high-throughput screening, achieving self-adaptive parallel electrochemical reduction of Cu(II) and As(III). Combined X-ray absorption fine structure (XAFS) spectroscopy and coordination field theory verified the Ni-Cu specific energy level matching promoted by permitted transition and also reproduced the microscopic dynamic reduction process.
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