The effect of sodium thiosulfate on cytotoxicity of a diimine Re(i) tricarbonyl complex

Replacing the aqua ligand in fac-[(Re(CO)3(bpy)(H2O)]+ with S2O32− disrupts the cellular uptake of the product in the MD-MB-231 breast cancer cells.

Crystal structures of two isostructural bivalent metal N-benzoylglycinates

The crystal structures of two coordination compounds of N-benzoylglycine, viz. catena-poly[[[diaquabis(N-benzoylglycinato)cobalt(II)]-μ-aqua] dihydrate], {[Co(C9H8NO3)2(H2O)3]·2H2O} n , 1, and catena-poly[[[diaquabis(N-benzoylglycinato)nickel(II)]-μ-aqua] dihydrate], {[Ni(C9H8NO3)2(H2O)3]·2H2O} n , 2, are described. The structures of 1 and 2 were reported previously [Morelock et al. (1979). J. Am. Chem. Soc. 101, 4858–4866] and redetermined in this work to determine the H-atom coordinates. In the isostructural compounds, the central metal is located on an inversion centre and exhibits a distorted octahedral geometry. A pair of terminal aqua ligands disposed trans to each other and a pair of monodentate N-benzoylglycinate ligands form the square base and account for four of the six vertices of the octahedron. A μ2-bridging aqua ligand links the bivalent metals into one-dimensional chains extending along the c-axis direction. The one-dimensional chains stabilized by O—H...O hydrogen bonds are interlinked by N—H...O and C—H...O hydrogen-bonding interactions.

Novel Cd (II) Coordination Polymers Afforded with EDTA or Trans-1,2-Cdta Chelators and Imidazole, Adenine, or 9-(2-Hydroxyethyl) Adenine Coligands

Three mixed-ligands of Cd(II) coordination polymers were unintentionally obtained: {[Cd(µ3-EDTA)(Him)·Cd(Him)(H2O)2]·H2O}n (1), {[Cd(µ4-CDTA)(Hade)·Cd(Hade)2]}n (2), and {[Cd(µ3-EDTA)(H2O)·Cd(H9heade)(H2O)]·2H2O}n (3), having imidazole (Him), adenine (Hade) or 9-(2-hydroxyethyl)adenine (9heade) as the N-heterocyclic coligands. Compounds 2 and 3 were obtained by working with an excess of corresponding N-heterocyclic coligands. The single-crystal X-ray diffraction structures and thermogravimetric analyses are reported. The chelate moieties in all three compounds exhibit hepta-coordinated Cd centers, whereas the non-chelated Cd center is five-coordinated in 1 and six-coordinated in 2 and 3. Him and Hade take part in the seven-coordinated chelate moieties in 1 and 2, respectively. In contrast, 9heade is unable to replace the aqua ligand of the chelate [Cd (EDTA) (H2O)] moiety in 3. The thermogravimetric analysis (TGA) behavior of [Cd (H2EDTA) (H2O)]·2H2O in 1 and 3 leads to a residue of CdO, whereas the N-rich compound 2 yields CdO·Cd(NO3)2 as a residue. Density functional theory (DFT) calculations along with molecular electrostatic potential (MEP) and quantum theory of atoms-in-molecules computations were performed in adenine (compound 2) and (2-hydroxyethyl)adenine (compound 3) to analyze how the strength of the H-bonding and π-stacking interactions, respectively, are affected by their coordination to the Cd-metal center.

Luminescent vapochromic single crystal to single crystal transition in one-dimensional coordination polymer featuring the first Cu(i) dimer bridged by an aqua ligand

Vapochromic luminescence caused by included solvent mobility is observed in reversible single-crystal to single-crystal (SC–SC) transitions in a one-dimensional coordination polymer bearing the first reported water molecule bridging two Cu(i) ions.

Crystal structure of fac-aqua[(E)-4-(benzo[d]thiazol-2-yl)-N-(pyridin-2-ylmethylidene)aniline-κ2 N,N′]tricarbonylrhenium(I) hexafluoridophosphate methanol monosolvate

In the title compound, fac-[Re(C19H13N3S)(CO)3(H2O)]PF6·CH3OH, the coordination environment of the ReI atom is octahedral with a C3N2O coordination set. In this molecule, the N,N′ bidentate ligand, (E)-4-(benzo[d]thiazol-2-yl)-N-(pyridin-2-ylmethylidene)aniline, and the monodentate aqua ligand occupy the three available coordination sites of the [Re(CO)3]+ core, generating a `2 + 1' mixed-ligand complex. In this complex, the Re—C bonds of the carbonyl ligands trans to the coordinating N,N′ atoms of the bidentate ligand are longer than the Re—C bond of the carbonyl group trans to the aqua ligand, in accordance with the intensity of their trans effects. The complex is positively charged with PF6 − as the counter-ion. In the structure, the complexes form dimers through π–π intermolecular interactions. O—H...O and O—H...N hydrogen bonds lead to the formation of stacks parallel to the a axis, which further extend into layers parallel to (0\overline{1}1). Through O—H...F hydrogen bonds between the complexes and the PF6 −counter-anions, a three-dimensional network is established.

catena-Poly[[aqua(iminodiacetato-κ3 O,N,O′)nickel(II)]-μ-4,4′-dipyridylamine-κ2 N:N′]

In the title compound, [Ni(C4H5NO4)(C10H9N3)(H2O)] n , the NiII cations are octahedrally coordinated by an N atom donor and two O donor atoms belonging to a tridentate iminodiacetate (ida) ligand in a fac fashion, an O atom donor from an aqua ligand, and cis-disposed pyridyl N donor atoms from two 4,4′-dipyridylamine (dpa) ligands. The dpa ligands are disordered over two sets of sites in a 0.594 (7):0.406 (7) ratio. Through the bridging dpa ligands, [Ni(ida)(dpa)(H2O)] n zigzag coordination polymer chains are formed that are oriented along the b-axis direction. These chain motifs are anchored into the three-dimensional supramolecular crystal structure of the title compound by means of O—H...O and N—H...O hydrogen-bonding pathways.

(μ2-Adipato-κ4O,O′:O′′,O′′′)bis[aqua(benzene-1,2-diamine-κ2N,N′)chloridocadmium]: crystal structure and Hirshfeld surface analysis

The full molecule of the binuclear title compound, [Cd2Cl2(C6H8O4)(C6H8N2)2(H2O)2], is generated by the application of a centre of inversion located at the middle of the central CH2—CH2bond of the adipate dianion; the latter chelates a CdIIatom at each end. Along with two carboxylate-O atoms, the CdIIion is coordinated by the two N atoms of the chelating benzene-1,2-diamine ligand, a Cl−anion and an aqua ligand to define a distorted octahedral CdClN2O3coordination geometry with the monodentate ligands being mutuallycis. The disparity in the Cd—N bond lengths is related to the relativetranseffect exerted by the Cd—O bonds formed by the carboxylate-O and aqua-O atoms. The packing features water-O—H...O(carboxylate) and benzene-1,2-diamine-N—H...Cl hydrogen bonds, leading to layers that stack along thea-axis direction. The lack of directional interactions between the layers is confirmed by a Hirshfeld surface analysis.

3-(Pyridin-4-yl)acetylacetone: CdII and HgII compete for nitrogen coordination

3-(Pyridin-4-yl)acetylacetone (HacacPy) acts as a pyridine-type ligand towards CdII and HgII halides. With CdBr2, the one-dimensional polymer [Cd(μ-Br)2(HacacPy)Cd(μ-Br)2(HacacPy)2]∞ is obtained in which five- and six-coordinated CdII cations alternate in the chain direction. Reaction of HacacPy with HgBr2 results in [Hg(μ-Br)Br(HacacPy)]∞, a polymer in which each HgII centre is tetracoordinated. In both compounds, each metal(II) cation is N-coordinated by at least one HacacPy ligand. Equimolar reaction between these CdII and HgII derivatives, either conducted in ethanol as solvent or via grinding in the solid state, leads to ligand redistribution and the formation of the well-ordered bimetallic polymer catena-poly[[bromidomercury(II)]-μ-bromido-[aquabis[4-hydroxy-3-(pyridin-4-yl)pent-3-en-2-one]cadmium(II)]-di-μ-bromido], [CdHgBr4(C10H11NO2)2(H2O)] n or [{HgBr}(μ-Br){(HacacPy)2Cd(H2O)}(μ-Br)2]∞. HgII and CdII cations alternate in the [100] direction. The HacacPy ligands do not bind to the HgII cations, which are tetracoordinated by three bridging and one terminal bromide ligand. The CdII centres adopt an only slightly distorted octahedral coordination. Three bromide ligands link them in a (2 + 1) pattern to neighbouring HgII atoms; two HacacPy ligands in a cis configuration, acting as N-atom donors, and a terminal aqua ligand complete the coordination sphere. Classical O—H...Br hydrogen bonds stabilize the polymeric chain. O—H...O hydrogen bonds between aqua H atoms and the uncoordinated carbonyl group of an HacacPy ligand in a neighbouring strand in the c direction link the chains into layers in the (010) plane.