Synthesis, crystallographic and spectroscopic characterization, and theoretical elucidation of an elusive aminyl radical containing a CuII-aminyl-iminosemiquinone complex.
Sign Up to like & getrecommendations! Published in 2021 at "Chemical communications"
DOI: 10.1039/d0cc07378d
Abstract: An elusive aminyl radical and an iminosemiquinone radical-coordinated square pyramidal Cu(ii) complex (1) have been isolated by the reaction between the noninnocent ligand H4LPy(AP) and Cu(ClO4)2·6H2O in the presence of Et3N and air as the… read more here.
Keywords: spectroscopic characterization; synthesis crystallographic; aminyl radical; elusive aminyl ... See more keywords
Synthesis, Crystallographic Structure, Theoretical Analysis, Molecular Docking Studies, Electronic properties and Biological Activity Evaluation of ruthenium-complex bearing N-heterocyclic carbene ligand
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DOI: 10.1039/d3nj01598j
Abstract: The development of new classes of antimicrobial is urgently needed due to the widespread occurrence of multi-resistant pathogens. In this study, novel ruthenium N-Heterocyclic carabene 3 was synthesized and characterized... read more here.
Keywords: structure theoretical; theoretical analysis; crystallographic structure; ruthenium ... See more keywords
Synthesis, crystallographic analysis and Hirshfeld surface analysis of 4-bromo-2-{[2-(5-bromo-2-nitrophenyl)hydrazin-1-ylidene]methyl}-5-fluorophenol
Sign Up to like & getrecommendations! Published in 2018 at "Acta Crystallographica Section E: Crystallographic Communications"
DOI: 10.1107/s2056989018014627
Abstract: The title compound is nearly planar with a dihedral angle of 10.6 (4)° between the two benzene rings. read more here.
Keywords: hirshfeld surface; synthesis crystallographic; bromo; analysis ... See more keywords
Synthesis and crystallographic characterization of a brominated porphyrin with a nitrophenyl substituent and its iron derivative
Sign Up to like & getrecommendations! Published in 2018 at "Journal of Porphyrins and Phthalocyanines"
DOI: 10.1142/s1088424618500578
Abstract: 2,3,7,8,12,13,17,18-Octabromo-5-(2-nitrophenyl)-10,15,20-triphenyl porphyrin (H2OBP-NO2) and its metallic complexes have been designed and synthesized. Both the free-base porphyrin and its iron(III... read more here.
Keywords: crystallographic characterization; porphyrin nitrophenyl; brominated porphyrin; synthesis crystallographic ... See more keywords
Synthesis, Crystallographic, Quantum Chemical, Antitumor, and Molecular Docking/Dynamic Studies of 4-Hydroxycoumarin-Neurotransmitter Derivatives
Sign Up to like & getrecommendations! Published in 2022 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms23021001
Abstract: In this contribution, four new compounds synthesized from 4-hydroxycoumarin and tyramine/octopamine/norepinephrine/3-methoxytyramine are characterized spectroscopically (IR and NMR), chromatographically (UHPLC-DAD), and structurally at the B3LYP/6-311++G*(d,p) level of theory. The crystal structure of the 4-hydroxycoumarin-octopamine derivative was… read more here.
Keywords: molecular docking; antitumor; crystallographic quantum; chemical antitumor ... See more keywords
Synthesis, Crystallographic Structure, Theoretical Analysis, Molecular Docking Studies, and Biological Activity Evaluation of Binuclear Ru(II)-1-Naphthylhydrazine Complex
Sign Up to like & getrecommendations! Published in 2022 at "International Journal of Molecular Sciences"
DOI: 10.3390/ijms24010689
Abstract: Ruthenium(II)–arene complexes have gained significant research interest due to their possible application in cancer therapy. In this contribution two new complexes are described, namely [{RuCl(η6-p-cymene)}2(μ-Cl)(μ-1-N,N′-naphthyl)]X (X = Cl, 1; PF6, 2), which were fully characterized… read more here.
Keywords: molecular docking; structure; theoretical analysis; analysis ... See more keywords