catena-Poly[(μ3-2-hy­droxy-4-isopropyl­cyclo­hepta-2,4,6-trien-1-onato)(μ2-2-hy­droxy-4-isopropyl­cyclo­hepta-2,4,6-trien-1-onato)lead(II)]

In the title compound, [Pb(C10H11O2)2]n or [Pb(hino)2]n, the lead(II) ion is chelated by two hinokitiolate ligands in a distorted square-pyramidal configuration, with Pb—O bond lengths in the range 2.327 (6)–2.479 (9) Å. The 6s 2 lone electron pair of the lead(II) ion becomes stereochemically active and is directed towards the apex of this pyramid. The crystal structure of the title compound consists of chains formed by the bis­(hinokitiolato)lead(II) mol­ecules situated along the twofold screw axis. The coordination sphere around the lead(II) ion is completed by three additional O atoms, at 2.625 (7), 3.016 (8) and 3.064 (8) Å, from the two neighbouring Pb(hino)2 units. Both isopropyl groups are rotationally disordered

Poly[bis­(μ3-acetato-κ4 O,O′:O:O′)bis­(μ2-acetato-κ3 O,O′:O)(μ2-2,5-dimethyl­benzene-1,4-diol-κ2 O:O′)dilead(II)]

The title compound, [Pb2(C2H3O2)4(C8H10O2)]n, has a polymeric structure, with acetatolead(II) chains and 2,5-dimethyl­benzene-1,4-diol mol­ecules forming bridges between two PbII ions from neighbouring chains. Each PbII centre is surrounded by eight O atoms; four belong to bidentate acetate ions, three to neighbouring bridging acetate groups and one to the 2,5-dimethyl­benzene-1,4-diol mol­ecule. The PbII ions are chelated symmetrically and asymmetrically by acetate ligands. The coordination environment of the PbII ion can be described as a hemidirected PbIIO6 core with the empty space around the metal ion filled by the stereochemically active 6s 2 electron pair and two longer Pb—O contacts. The Pb—O distances are in the range of 2.355 (3)–2.994 (3) Å. Additionally, the crystal structure is stabilized by O—H⋯O hydrogen bonds

2-Hydroxy-7-nitrocyclohepta-2,4,6-trien-1-one

The title compound, also known as 7-nitrotropolone, C7H5NO4, exists in the crystalline state as the 2-hydroxy-7-nitrocyclohepta-2,4,6-trien-1-one tautomer and not as 2-hydroxy-3-nitrocyclohepta-2,4,6-trien-1-one. The dihedral angle between the ring and the nitro group is 70.3 (2)°. In the crystal, neighbouring molecules are linked into dimers by a pair of O—H...O hydrogen bonds. In addition, the crystal is stabilized by O...π [3.4039 (14) Å] and O...O [3.073 (2) Å] interactions

Crystal structures and conformers of CyMe4-BTBP

The crystal structure of new conformation of the CyMe4-BTBP ligand (ttc) has been presented. The ttt conformer of this compound in a form of THF solvate has been also crystallized. The geometries of six possible conformations (ttt, ttc, tct, tcc, ctc and ccc) of the CyMe4-BTBP ligand have been modeled in the gas phase and in solutions (MeOH and H2O) by DFT calculations using B3LYP/6-31G(d,p) method. According to the calculations, in the three different media the conformers with trans orientation of the N atoms in the bipyridyl moiety are the most stable

Crystal structure of hexa­kis­(dmpu)-di-μ2-hydroxido-dialuminium tetraiodide dmpu tetra­solvate [dmpu is 1,3-di­methyl­tetra­hydro­pyrimidin-2(1H)-one]: a centrosymmetric dinuclear aluminium complex containing AlO5 polyhedra

The structure of the title compound, [Al 2(OH)2(C6H12N2O)6]I4.4C6H12N2O (systematic name: di-2-hydroxido-bis{tris[1,3-dimethyltetrahydropyrimidin- 2(1H)-one-O]aluminium} tetraiodide 1,3-dimethyltetrahydropyrimidin-2(1H)-one tetrasolvate), is composed of two Al(C6H12N2O)3 moieties linked into a centrosymmetric dinuclear unit by a pair of bridging hydroxide ions. The aluminium cations show a distorted trigonal bipyramidal AlO5 coordination environment formed only by monodentate ligands. The Al-O bond lengths are in the range 1.789(2)-1.859(2) Å (mean bond length = 1.818 Å ). The noncoordinating iodide anions compensate the charge of the complex cation. The remaining solvent molecules and the iodide counter-anions interact with the complex cation by weak non-classical C-H...I and C-H...O hydrogen bonds

1,2-Benzenedithiol and Toluene-3,4-dithiol Arsenic(III) Complexes—Synthesis, Structure, Spectroscopic Characterization and Toxicological Studies

A new group of arsenic(III) complexes with bidentate S,S-donor ligands, 1,2-benzenedithiol (Ph(SH)2) and toluene-3,4-dithiol (MePh(SH)2), were synthesized. The use of arsenic(III) iodide and bromide promoted the formation of neutral complexes (1–4) with the general formula AsX(LS2) (X = I or Br, L = MePh or Ph). The crystal structures of these compounds were determined using single-crystal X-ray diffraction (scXRD). Unlike other arsenic(III) complexes, AsBr(PhS2) complex (2) was found to crystallize with a rare 13 molecules in the asymmetric unit. The compounds were also characterized by conventional physico-chemical techniques (Fourier transform infrared (FT-IR) spectroscopy, ultraviolet-visible (UV-Vis) spectroscopy, nuclear magnetic resonance (NMR), high-performance liquid chromatography (HPLC), elemental analysis (EA) and electrospray ionization-mass spectrometry (ESI-MS)). The results from structural and spectroscopic studies were supported by DFT calculations using the B3LYP/LANL2DZ and (or) 6-31+G(d,p) approaches. The cytotoxicity of these complexes was estimated for human acute promyelocytic leukemia cell line (NB4). They exhibited remarkable cytotoxicities after 48 h of treatment with IC50 equal to about 10 µM and 40 µM for complexes with 1,2-benzenedithiolato and toluene-3,4-dithiolato ligand, respectively. Their toxicity was lower than that of commonly used chemotherapeutic As2O3 (IC50 = 1.4 µM)

Thallium(I) Tropolonates: Synthesis, Structure, Spectral Characteristics, and Antimicrobial Activity Compared to Lead(II) and Bismuth(III) Analogues

Synthesis, single-crystal X-ray determination diffraction and FT-IR, NMR (1H, 13C, 19F and 205Tl), UV–vis, and luminescence spectra characteristics were described for series of thallium(I) compounds: thallium(I) triflate (Tl(OTf)), 1:1 co-crystals of thallium(I) triflate and tropolone (Htrop), Tl(OTf)·Htrop, as well as simple thallium(I) chelates: Tl(trop) (1), Tl(5-metrop) (2), Tl(hino) (3), with Htrop, 5-methyltropolone (5-meHtrop), 4-isopropyltropolone (hinokitiol, Hhino), respectively, and additionally more complex {Tl@[Tl(hino)]6}(OTf) (4) compound. Comparison of their antimicrobial activity with selected lead(II) and bismuth(III) analogs and free ligands showed that only bismuth(III) complexes demonstrated significant antimicrobial activity, from two- to fivefold larger than the free ligands