Vasily I. Pekhnyo

cis-Bis[1-allyl-3-(2-pyrid­yl-κN)thio­ureato-κS]palladium(II)

Yellow plate-like shaped crystals of the title compound, [Pd(C9H10N3S)2], were obtained by ligand-exchange reaction between palladium(II) acetylacetonate and the corresponding organic reagent at room temperature. The PdII atom shows a slightly distorted square-planar coordination geometry consisting of two ligand molecules in a cis conformation that bind in their thiolic tautomeric form. Weak intermolecular Pd⋯H interactions with Pd—H distances of 3.328 (2) Å were observed in the crystal structure. The three-dimensional network of the crystal structure is realized by weak intermolecular C—H⋯N, N—H⋯N and C—H⋯S hydrogen bonds.

Bis(1-ammonio­ethane-1,1-diyl­diphos­phonato-κ2O,O′)diaqua­cobalt(II) nona­hydrate

In the title compound, [Co(C2H8NO6P2)2(H2O)2]·9H2O, the CoII atom has a slightly distorted octahedral coordination environment consisting of four deprotonated phosphonate O atoms of two independent 1-aminoethylidendiphosphonate anions and complemented by the O atoms of two water molecules in cis positions. The anions exists in the zwitterionic form (protonated amino group and two deprotonated phosphonate O atoms) and constitute two six-membered chelate rings. The crystal structure also contains nine partly disordered uncoordinated water molecules, which create an extensive three-dimensional network of strong O—H⋯O and N—H⋯O hydrogen bonds.

Palladium(II) Complexes with 1-Hydroxyethylidene-1,1-diphosphonic Acid

Complex formation in a K2PdCl4-HEDP system (HEDP is 1-hydroxyethylidene-1,1-diphosphonic acid) at the metal-to-ligand ratios 1 : 1 and 1 : 2 is studied by 31P and 1H NMR spectroscopy. The formation of equimolar complexes, in which HEDP is coordinated to palladium(II) in a bidentate mode through two oxygen atoms of the phosphonic groups, is found in these systems. The structure and charge characteristics of conformers of the complexes are simulated by the quantum-chemical methods.

Crystal structure of di­chlorido­{4-[(E)-(meth­oxy­imino-κN)meth­yl]-1,3-thia­zol-2-amine-κN3}palladium(II)

In the title compound, [PdCl2(C5H7N3OS)], the PdII atom adopts a distorted square-planar coordination sphere defined by two N atoms of the bidentate ligand and two Cl atoms. The mean deviation from the coordination plane is 0.029 Å. The methyl group is not coplanar with the plane of the metallacycle [torsion angle C—O—N—C = 20.2 (4)°]. Steric repulsion between the methyl group and atoms of the metallacycle is manifested by shortened intramolecular H⋯C contacts of 2.27, 2.38 and 2.64 Å, as compared with the sum of the van der Waals radii of 2.87 Å. The amino group participates via one H atom in the formation of an intramolecular N—H⋯Cl hydrogen bond. In the crystal, the other H atom of the amino group links molecules via bifurcated N—H⋯(Cl,O) hydrogen bonds into chains parallel to [001].

trans-Bis[(1-ammonio­pentane-1,1-di­yl)diphospho­nato-κ2 O,O′]diaqua­copper(II)

In the title compound, [Cu(C5H14NO6P2)2(H2O)2], the CuII atom occupies a special position on an inversion centre. It exhibits a distorted octahedral coordination environment consisting of two O,O′-bidentate (1-ammoniopentane-1,1-diyl)diphosphonate anions in the equatorial plane and two trans water molecules located in axial positions. The ligand molecules are coordinated to the CuII atom in their zwitterionic form via two O atoms from different phosphonate groups, creating two six–membered chelate rings with a screw-boat conformation. The CuO6 coordination polyhedron is strongly elongated in the axial direction with 0.6 Å longer bonds than those in the equatorial plane. Intramolecular N—H⋯O hydrogen bonding helps to stabilize the molecular configuration. The presence of supramolecular —PO(OH)⋯O(OH)P— units parallel to (100) and other O—H⋯O and N—H⋯O hydrogen bonds establish the three-dimensional set-up.

cis-(Pyridin-2-ylcarbonimidodithio­ato-κ2S,S′)bis­(triphenyl­phosphane-κP)palladium(II)

The title compound, [Pd(C6H4N2S2)(C18H15P)2], was obtained as a minor product from the reaction of trans-PdCl2(PPh3)2 with piperazine-1,4-dicarbothioic acid bis(pyridin-2-yl)amide. The PdII atom displays a slightly distorted square-planar PdP2S2 geometry with a bidentately coordinated pyridin-2-ylcarbonimidodithioate ligand and two triphenylphosphine molecules, coordinated in cis positions. The crystal structure features weak π–π [centroid–centroid distance =3.7327(15) Å] and C–H⋯π interactions and contains an almost spherically shaped void of 50.4 Å3 per unit cell.

Diaqua-bis-(dihydrogen 3-aza-niumyl-1-hy-droxy-propyl-idene-1,1-di-phos-phon-ato-κO,O')cobalt(II).

The asymmetric unit of title compound, [Co(C3H10NO7P2)2(H2O)2], contains one half-molecule of the complex. The CoII atom is located on an inversion centre and displays a distorted octahedral coordination geometry defined by four O atoms of two 3-azaniumyl-1-hydroxypropylidene-1,1-bisphosphonato ligands in the equatorial plane and two water molecules located in axial positions. The ligand molecules, which exist in a zwitterionic state, form two six-membered chelate rings with chair conformations. In the crystal, molecules are interlinked by O—H⋯O and N—H⋯O hydrogen bonds, forming a three-dimensional supramolecular structure.

Poly[[μ2-(1Z,N′E)-2-(1,3-benzothia­zol-2-ylsulfan­yl)-N′-(2-oxidobenzyl­idene-κ2O:O)acetohydrazidato-κ2O,N′](pyridine-κN)copper(II)]

In the title compound, [Cu(C16H11N3O2S2)(C5H5N)]n, the CuII atom displays a square-pyramidal CuN2O3 coordination geometry with strong elongation in the vertex direction. The hydrazone molecule is coordinated to the CuII atom in a tridentate manner in the enolic form, creating five- and six-membered chelate metallarings. The pyridine molecule completes the square-planar base of the copper coordination environment. The crystal structure displays zigzag polymeric Cu—O—Cu chains along [001]. Several weak π–π interactions between benzothiazole rings were found in the same direction [centroid–centroid distances = 3.7484 (16), 3.7483 (16), 3.6731 (17) and 3.7649 (17) Å].

Poly[[diaqua[μ(5)-(R,S)-2-({2-[(1,2-di-carboxyl-atoeth-yl)amino]-eth-yl}amino)-butane-dioato]cobaltate(III)sodium] di-hydrate].

In the asymmetric unit of the title coordination polymer, {[CoNa(C10H12N2O8)(H2O)2]·2H2O}n, the CoII ion is coordinated in a distorted octahedral environment, defined by two N atoms and four carboxylate O atoms. Two CoII ions and two 2-({2-[(1,2-dicarboxylatoethyl)amino]ethyl}amino)butanedioate (EDDS) ligands form a dimeric complex dianion [Co2(EDDS)2]. These dimeric units are connected via Na+ ions, forming a three-dimensional polymeric structure. In the crystal, the ligand N—H groups and the coordinated and solvent water molecules are involved in intermolecular N—H⋯O and O—H⋯O hydrogen bonding, reinforcing the three-dimensional polymeric structure.

Bis[(1-ammonio­ethane-1,1-di­yl)diphospho­nato-κ2O,O′]diaqua­nickel(II) nona­hydrate

The title compound, [Ni(C2H8NO6P2)2(H2O)2]·9H2O, exhibits a slightly distorted octahedral coordination environment around the NiII atom. It contains two molecules of 1-aminoethylidenediphosphonic acid in the zwitterionic form, coordinated via O atoms from two phosphonate groups and creating two six-membered chelate rings. Two water molecules in cis positions complete the coordination environment of the NiII atom. The title compound contains nine partly disordered solvent water molecules, which create a three-dimensional network of strong O—H⋯O and N—H⋯O hydrogen bonds.