Synthesis and crystal structure of twisted dinuclear η3-allylpalladium complexes containing tetradentate nitrogen ligands

Liquid crystal behaviour of ionic allylpalladium complexes containing 2-pyrazolylpyridine as bidentate N,N′-ligand

“…1.36 Å and 120°, respectively). Similar distorted allyl groups have also been found in other complexes containing [Pd(g 3 -allyl)] + fragments [25,[27][28][29][30]. The Pd-C(allyl) distances (2.07-2.10 Å ) are in the expected range for a [Pd(g 3 -allyl)] + fragment with nitrogen ligands in trans position [21,22,26].…”

Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of 4-[(prop-2-en-1-yloxy)methyl]-3,6-bis(pyridin-2-yl)pyridazine

“…Heterocyclic molecules such as 3,6-bis(2 0 -pyridyl)-1,2,4,5tetrazine have been used in transition-metal chemistry (Kaim & Kohlmann, 1987). It is a bidentate chelate ligand popular in coordination chemistry and complexes of a wide range of metals, including iridium and palladium (Tsukada et al, 2001). As a continuation of our research work devoted to the development of 3,6-di(pyridin-2-yl)pyridazine derivatives (Filali et al, 2019), we report herein the synthesis and the molecular and crystal structures along with the Hirshfeld ISSN 2056-9890 surface analysis and the intermolecular interaction energies and density functional theory (DFT) calculations for 4-[(prop-2-en-1-yloxy)methyl]-3,6-bis(pyridin-2-yl)pyridazine.…”

Crystal structure, Hirshfeld surface analysis and interaction energy and DFT studies of methyl 4-[3,6-bis(pyridin-2-yl)pyridazin-4-yl]benzoate

“…Systems containing this moiety also showed remarkable corrosion inhibition (Khadiri et al, 2016). Heterocyclic molecules such as 3,6-bis(pyridin-2-yl)-1,2,4,5tetrazine have been used in transition-metal chemistry (Kaim & Kohlmann, 1987); this tetrazine is a bidentate chelating ligand popular in coordination chemistry and complexes of a wide range of metals, including iridium and palladium (Tsukada et al, 2001). As a continuation of our research in the field of substituted 3,6-bis(pyridin-2-yl)pyridazine (Filali et al, 2019a,b), we report herein the synthesis, the molecular and crystal structures, along with the Hirshfeld surface analysis, the intermolecular interaction energies and the density functional theory (DFT) computational calculations carried out at ISSN 2056-9890 the B3LYP/6-311G(d,p) level for a new 3,6-bis(pyridin-2yl)pyridazine, namely, methyl 4-[3,6-bis(pyridin-2-yl)pyridazin-4-yl]benzoate, (I).…”