Crystal structures of sixteen phosphane chalcogenide complexes of gold(I) chloride, bromide and iodide1
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ABSTRACT:
SUBMITTER: Upmann D
PROVIDER: S-EPMC10833370 | biostudies-literature | 2024 Jan
REPOSITORIES: biostudies-literature
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| S-EPMC10993601 | biostudies-literature
Project description:The compounds bis-(morpholine-κN)gold(I) chloride, [Au(C4H9NO)2]Cl, 1, and bis-(morpholine-κN)gold(I) bromide, [Au(C4H9NO)2]Br, 2, crystallize isotypically in space group C2/c with Z = 4. The gold atoms, which are axially positioned at the morpholine rings, lie on inversion centres (so that the N-Au-N coordination is exactly linear) and the halide anions on twofold axes. The residues are connected by a classical hydrogen bond N-H⋯halide and by a short gold⋯halide contact to form a layer structure parallel to the bc plane. The morpholine oxygen atom is not involved in classical hydrogen bonding.
| S-EPMC10833401 | biostudies-literature
Project description:Under anhydrous conditions and in the absence of a Lewis-base solvent, a zinc chloride complex with tri-tert-butyl-phosphane as the μ-bridged dimer is formed, viz. di-μ-chlorido-bis-[chlorido-bis-(tri-tert-butyl-phosphane)zinc], [ZnCl4(C12H27P)2], (1), which features a nearly square-shaped (ZnCl)2 cyclic core and whose Cl atoms inter-act weakly with C-H groups on the phosphane ligand. In the presence of THF, monomeric di-chlorido-(tetra-hydro-furan-κO)(tri-tert-butyl-phosphane-κP)zinc, [ZnCl2(C4H8O)(C12H27P)] or [P(tBu3)(THF)ZnCl2], (2), is formed. This slightly distorted tetra-hedral Zn complex has weak C-H⋯Cl inter-actions between the Cl atoms and phosphane and THF C-H groups. Under ambient conditions, the hydrolysed complex tri-tert-butyl-phospho-nium aqua-tri-chlorido-zincate 1,2-di-chloro-ethane monosolvate, (C12H28P)[ZnCl3(H2O)]·C2H4Cl2 or [HPtBu3](+) [(H2O)ZnCl3](-)·C2H4Cl2, (3), is formed. This complex forms chains of [(H2O)ZnCl3](-) anions from hydrogen-bonding inter-actions between the water H atoms and Cl atoms that propagate along the b axis.
| S-EPMC4704762 | biostudies-literature
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| S-EPMC10848987 | biostudies-literature
Project description:Structural characterization of the ionic complexes [FeCl2(C26H22P2)2][FeCl4]·0.59CH2Cl2 or [(dppen)2FeCl2][FeCl4]·0.59CH2Cl2 (dppen = cis-1,2-bis-(di-phenyl-phosphane)ethyl-ene, P2C26H22) and [FeCl2(C30H24P2)2][FeCl4]·CH2Cl2 or [(dpbz)2FeCl2][FeCl4]·CH2Cl2 (dpbz = 1,2-bis-(di-phenyl-phosphane)benzene, P2C30H24) demonstrates trans coordination of two bidentate phosphane ligands (bis-phosphanes) to a single iron(III) center, resulting in six-coordinate cationic complexes that are balanced in charge by tetra-chlorido-ferrate(III) monoanions. The trans bis-phosphane coordination is consistent will all previously reported mol-ecular structures of six coordinate iron(III) complex cations with a (PP)2X2 (X = halido) donor set. The complex with dppen crystallizes in the centrosymmetric space group C2/c as a partial-occupancy [0.592 (4)] di-chloro-methane solvate, while the dpbz-ligated complex crystallizes in the triclinic space group P1 as a full di-chloro-methane monosolvate. Furthermore, the crystal studied of [(dpbz)2FeCl2][FeCl4]·CH2Cl2 was an inversion twin, whose component mass ratio refined to 0.76 (3):0.24 (3). Beyond a few very weak C-H⋯Cl and C-H⋯π inter-actions, there are no significant supra-molecular features in either structure.
| S-EPMC6002827 | biostudies-literature
Project description:Ionic co-crystals are co-crystals between organic mol-ecules and inorganic salt coformers. Co-crystals of pharmaceuticals are of inter-est to help control polymorph formation and potentially improve stability and other physical properties. We describe the preparation, crystal structures, and hydrogen bonding of five different 2:1 benzamide or tolu-amide/zinc(II) chloride co-crystal salts, namely, bis-(benzamide-κO)di-chlorido-zinc(II), [ZnCl2(C7H7NO)2], di-chlor-ido-bis-(2-methyl-benzamide-κO)zinc(II), [ZnCl2(C8H9NO)2], di-chlorido-bis-(3-methyl-benzamide-κO)zinc(II), [ZnCl2(C8H9NO)2], di-chlorido-bis-(4-methyl-benzamide-κO)zinc(II), [ZnCl2(C8H9NO)2], and di-chlorido-bis-(4-hy-droxy-benzamide-κO)zinc(II), [ZnCl2(C7H7NO2)2]. All of the complexes contain hydrogen bonds between the amide N-H group and the amide carbonyl oxygen atoms or the chlorine atoms, forming extended networks.
| S-EPMC8423010 | biostudies-literature
Project description:Four manganese(II) bromide coordination complexes have been prepared with four pyridine N-oxides, viz. pyridine N-oxide (PNO), 2-methyl-pyridine N-oxide (2MePNO), 3-methyl-pyridine N-oxide (3MePNO), and 4-methyl-pyridine N-oxide (4MePNO). The compounds are bis-(μ-pyridine N-oxide)bis-[aqua-dibromido-(pyridine N-oxide)manganese(II)], [Mn2Br4(C5H5NO)4(H2O)2] (I), bis-(μ-2-methyl-pyridine N-oxide)bis-[di-aqua-dibromido-manganese(II)]-2-methyl-pyridine N-oxide (1/2), [Mn2Br4(C6H7NO)2(H2O)4]·2C6H7NO (II), bis-(μ-3-methyl-pyridine N-oxide)bis-[aqua-dibromido-(3-methyl-pyridine N-oxide)manganese(II)], [Mn2Br4(C6H7NO)4(H2O)2] (III), and bis-(μ-4-methyl-pyridine N-oxide)bis-[di-bromido-methanol(4-methyl-pyridine N-oxide)manganese(II)], [Mn2Br4(C6H7NO)4(CH3OH)2] (IV). All the compounds have one unique MnII atom and form a dimeric complex that contains two MnII atoms related by a crystallographic inversion center. Pseudo-octa-hedral six-coordinate manganese(II) centers are found in all four compounds. All four compounds form dimers of Mn atoms bridged by the oxygen atom of the PNO ligand. Compounds I, II and III exhibit a bound water of solvation, whereas compound IV contains a bound methanol mol-ecule of solvation. Compounds I, III and IV exhibit the same arrangement of mol-ecules around each manganese atom, ligated by two bromide ions, oxygen atoms of two PNO ligands and one solvent mol-ecule, whereas in compound II each manganese atom is ligated by two bromide ions, one O atom of a PNO ligand and two water mol-ecules with a second PNO mol-ecule inter-acting with the complex via hydrogen bonding through the bound water mol-ecules. All of the compounds form extended hydrogen-bonding networks, and compounds I, II, and IV exhibit offset π-stacking between PNO ligands of neighboring dimers.
| S-EPMC6690471 | biostudies-literature
Project description:Treatment of a suspension of (IPr)AuCl [IPr = 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidine] and AgSbF(6) (1:1) with isobutylene at room temperature for 12 h led to isolation of [(NHC)Au(eta(2)-H(2)C=CMe(2))](+) SbF(6)(-) (1a) in 98% yield, which was characterized by spectroscopy and X-ray crystallography. A number of cationic gold pi-alkene complexes were isolated employing a procedure similar to that used to isolate 1a, two of which were analyzed by X-ray crystallography. Spectroscopy, X-ray crystallography, and alkene binding studies were in accord with a gold-(pi-alkene) interaction dominated by sigma-donation from the alkene to gold.
| S-EPMC2745538 | biostudies-literature
Project description:Following promising recent in vitro and in vivo studies of the anticancer efficacies of heterometallic titanocene-gold chemotherapeutic candidates against renal cancer, we report here on the synthesis, characterization, stability studies and biological evaluation of a new titanocene complex containing a gold-triethylphosphane fragment [(?-C5H5)2TiMe(?-mba)Au(PEt3)] (4) Titanofin. The compound is more stable in physiological fluid than those previously reported, and it is highly cytotoxic against a line of human clear cell renal carcinoma. We describe here preliminary mechanistic data for this compound and previously reported [(?-C5H5)2TiMe(?-mba)Au(PPh3)] (2) Titanocref which displayed remarkable activity in an in vivo mouse model. Mechanistic studies were carried out in the human clear cell renal carcinoma Caki-1 line for the bimetallic compounds [(?-C5H5)2TiMe(?-mba)Au(PR3)] (PR3?=?PPh32 Titanocref and PEt34 Titanofin), the two monometallic gold derivatives [Au(Hmba)(PR3)] (PR3?=?PPh31 cref; PEt33 fin), titanocene dichloride and Auranofin as controls. These studies indicate that bimetallic compounds Titanocref (2) and Titanofin (4) are more cytotoxic than gold monometallic derivatives (1 and 3) and significantly more cytotoxic than titanocene dichloride while being quite selective. Titanocref (2) and Titanofin (4) inhibit migration, invasion, and angiogenic assembly along with molecular markers associated with these processes such as prometastatic IL(s), MMP(s), TNF-?, and proangiogenic VEGF, FGF-basic. The bimetallic compounds also strongly inhibit the mitochondrial protein TrxR often overexpressed in cancer cells evading apoptosis and also inhibit FOXC2, PECAM-1, and HIF-1? whose overexpression is linked to resistance to genotoxic chemotherapy. In summary, bimetallic titanocene-gold phosphane complexes (Titanocref 2 and Titanofin 4) are very promising candidates for further preclinical evaluations for the treatment of renal cancer.
| S-EPMC6258019 | biostudies-literature
Project description:The title compounds, tetra-butyl-ammonium chloride-1,1'-(1,2-phenyl-ene)bis-(3-m-tolyl-urea) (1/1), C16H36N+·Cl-·C22H22N4O2 or [(n-Bu4N+·Cl-)(C22H22N4O2)] (I) and tetra-butyl-ammonium bromide-1,1'-(1,2-phenyl-ene)bis-(3-m-tolyl-urea) (1/1), C16H36N+·Br-·C22H22N4O2 or [(n-Bu4N+·Br-)(C22H22N4O2)] (II), both comprise a tetra-butyl-ammonium cation, a halide anion and an ortho-phenyl-ene bis-urea mol-ecule. Each halide ion shows four N-H?X (X = Cl or Br) inter-actions with two urea receptor sites of different bis-urea moieties. A crystallographic inversion centre leads to the formation of a 2:2 arrangement of two halide anions and two bis-urea mol-ecules. In the crystals, the dihedral angle between the two urea groups of the bis-urea mol-ecule in (I) [defined by the four N atoms, 165.4?(2)°] is slightly smaller than that in (II) [167.4?(2)°], which is probably due to the smaller ionic radius of chloride compared to bromide.
| S-EPMC5588570 | biostudies-literature