Hexakis­(imidazole‐N3)­nickel(II) bis(4‐methoxy­benzoate)

In the title complex of [Ni(C₃H₄N₂)₆](C₈H₇O₃)₂, the Ni atom is in an octahedral environment formed by the tertiary N atom of the imidazole moieties. The methoxy­benzoate moieties act as a bridge connecting two hexakis­(imidazole)nickel(II) mol­ecules through N—H?O hydrogen bonds.     

Adducts of 1,1,1‐tris(4‐hydroxy­phenyl)­ethane with 1,2‐bis(4‐pyridyl)­ethane and 1,2‐bis(4‐pyridyl)­ethene: continuously interwoven structures in three dimensions

In the adduct 1,2‐bis(4‐pyridyl)­ethane–1,1,1‐tris(4‐hydroxy­phenyl)­ethane (1/2), C₁₂H₁₂N₂·2C₂₀H₁₈O₃, the bipyridyl component lies across an inversion centre in P. The tris‐phenol mol­ecules [systematic name: 4,4′,4′′‐(ethane‐1,1,1‐triyl)­triphenol] are linked by O—H?O hydrogen bonds to form sheets built from R(38) rings, and symmetry‐related pairs of sheets are linked by the bipyridyl mol­ecules via O—H?N hydrogen bonds to form open bilayers. Each bilayer is interwoven with two adjacent bilayers, forming a continuous three‐dimensional structure. In the adduct 1,2‐bis(4‐pyridyl)­ethene–1,1,1‐tris(4‐hydroxy­phenyl)­ethane–methanol (1/1/1), C₁₂H₁₀N₂·C₂₀H₁₈O₃·CH₄O, the mol­ecules are linked by O—H?O and O—H?N hydrogen bonds into three interwoven three‐dimensional frameworks, generated by single spiral chains along [010] and [001] and a triple‐helical spiral along [100].     

Bis­[1,3‐bis(2‐methyl­tetrazol‐5‐yl‐κN4)­triazenido‐κN2]­nickel(II)

The title compound, [Ni(BMTT)₂], where BMTT is 1,3‐bis(2‐methyl­tetrazol‐5‐yl)­triazenide (C₄H₆N₁₁), presents a molecular complex with tridentate ligands. The tridentate mode of the ligand is realised through the central N atom of the triazene group and two N atoms of the two tetrazole rings. The [Ni(BMTT)₂] mol­ecule is the meridional isomer, with crystallographic symmetry in space group P4₂/n. The nickel centre has a distorted octahedral environment, with two axial Ni—N bonds of 2.041 (2) Å and four equatorial Ni—N bonds of 2.0739 (14) Å. The mol­ecules are linked together by van der Waals interactions only.     

Tris(ethyl­ene­diamine)­nickel(II) bis­[2‐cyano‐2‐(oxidoimino)­acetamidato]­nickelate(II) monohydrate

The title compound, [Ni(C₂H₈N₂)₃][Ni(C₃HN₃O₂)₂]·H₂O, appears to be a modular associate consisting of two complex counter‐ions, containing bivalent nickel as the central atom in both cases, and a solvent water mol­ecule. The Ni^II ion in the complex cation lies on the C₂ crystallographic axis. Its coordination environment is formed by six N atoms of three ethyl­ene­diamine (en) mol­ecules, representing a distorted octa­hedral geometry. The Ni^II ion in the complex anion occupies a position at the center of inversion. It exhibits a distorted square‐planar coordination geometry formed by four N atoms belonging to the deprotonated oxidoimine and amide groups of the two doubly charged 2‐cyano‐2‐(oxidoimino)acetamidate anions, situated in trans positions with respect to each other. In the crystal packing, the complex anions are linked by water mol­ecules via hydrogen bonds between the amide O atoms and water H atoms, forming chains translated along the a direction. The [Ni(en)₃]²⁺ cations fill empty spaces between the translational chains, connecting them by hydrogen bonds between the oxime and amide O atoms of the anions and the amine H atoms of the cations, forming layers along the ac plane. The water mol­ecules provide connection between layers through N atoms of the cations, thus forming a three‐dimensional modular structure.     

Bis­(acetato‐O)­tetrakis­(imidazole‐N3)­nickel(II)

In the title compound, [Ni(C₂H₃O)₂(C₃H₄N₂)₄], the Ni atom is coordinated centrosymmetrically by four N and two O atoms in an octahedral coordination [Ni—N = 1.986 (3) and 2.054 (3) Å; Ni—O = 2.697 (3) Å]. The O atoms of the acetate anions form hydrogen bonds to adjacent imidazole moieties, with the free O atom forming a somewhat shorter bond [N?O = 2.679 (3) and 2.870 (4) Å]. The hydrogen bonds give rise to a two‐dimensional layer structure.     

(4‐Bromo‐2‐formyl­phenolato)­perchlorato­(1,10‐phenanthroline)­copper(II)

In the title copper(II) compound, [Cu(C₇H₄BrO₂)(ClO₄)(C₁₂H₈N₂)], the Cu atom is five‐coordinated in a distorted square‐pyramidal geometry by the N‐ and O‐donors of 4‐bromo‐2‐formyl­phenolate, 1,10‐phenanthroline and perchlorate. Pairs of complexes are linked together by Cu⋯O(phenolate) and π–π stacking inter­actions between 4‐bromo‐2‐formyl­phenolate and 1,10‐phenanthroline. Along the crystallographic a axis, the dimers are linked by hydrogen bonds between a perchlorate O atom and a 4‐bromo‐2‐formyl­phenolate H atom, and by further π–π stacking inter­actions. Hydrogen bonding between the Br atom and a 1,10‐phenanthroline H atom takes place between the stacks of dimers.     

Redetermination of hexa­carbonyl­(η5‐cyclo­penta­dienyl)­bis(μ3‐selenido)­diiron(II)­cobalt(II)

The structure of the title compound, hexa­carbonyl‐1κ³C,2κ³C‐[3(η⁵)‐cyclo­penta­dienyl]­bis(μ₃‐selenido)­diiron(II)­cobalt(II),[CoFe₂(μ₃‐Se)₂(C₅H₅)(CO)₆], was redetermined at room temperature and the correct C2/c space group was assumed instead of the previously reported P space group [Mathur et al. (1995). Organometallics, 14 , 2115–2118]. Analysis of the literature data showed that the previously reported triclinic parameters correspond to a primitive subcell of the actual monoclinic C‐centred cell with cell dimensions close to those found by us. The title compound appeared to be isostructural with the sulfur–selenium analogue.     

3‐(4‐Cyano­phenyl)­pentane‐2,4‐dione and its copper(II) complex

The β‐diketone 3‐(4‐cyano­phenyl)­pentane‐2,4‐dione crystallizes as the enol tautomer 4‐(2‐hydroxy‐4‐oxopent‐2‐en‐3‐yl)­benzo­nitrile, C₁₂H₁₁NO₂, (I), with an intramolecular O—H⋯O hydrogen bond [O⋯O = 2.456 (2) Å]. Reaction of (I) with copper acetate monohydrate in the presence of triethyl­amine leads to the formation of the copper(II) complexbis­[3‐(4‐cyano­phenyl)­pentane‐2,4‐dionato‐κ²O,O]copper(II), [Cu(C₁₂H₁₀NO₂)₂], (II). In the structure of (II), the Cu atom is coordinated by four β‐diketonate O atoms in a slightly distorted square‐planar geometry, with Cu—O distances in the range 1.8946 (11)–1.9092 (11) Å. The nitrile moieties in (II) make it a candidate for reaction with other metal ions to produce supramolecular structures.     

Tetra­aqua(2,2′‐bi­pyridine)­nickel(II) terephthalate

The reaction of nickel(II) nitrate with terephthalic acid and 2,2′‐bi­pyridine in di­methyl­form­amide solution gives the title complex, [Ni(C₁₀H₈N₂)(H₂O)₄](C₈H₄O₄). The Ni^II ion is octahedrally coordinated to one 2,2′‐bi­pyridine and four water mol­ecules and does not coordinate to the terephthalate anion. Hydro­gen bonds between the terephthalate anions and the [Ni(2,2′‐bipy)(H₂O)₄]²⁺ cations produce a two‐dimensional hydrogen‐bonding architecture with double sheets.     

mer‐Di­aqua­bis(1H‐imidazole‐κN3)(orotato‐κ2N3,O4)­nickel(II)

The title mononuclear complex, [Ni(C₅H₂N₂O₄)(C₃H₄N₂)₂(H₂O)₂] or [Ni(HOr)(im)₂(H₂O)₂] (im is imidazole and H₃Or is orotic acid, or 2,6‐dioxo‐1,2,3,6‐tetra­hydro­pyrimidine‐4‐carboxylic acid), has been synthesized and the crystal structure determination is reported. The Ni^II ion in the complex has a distorted octahedral coordination geometry comprised of one deprotonated pyrimidine N atom and the adjacent carboxyl­ate O atom of the orotate ligand, two tertiary imidazole N atoms and two aqua ligands. An extensive three‐dimensional network of OW—H⋯O and N—H⋯O hydrogen bonds, and π–π and π–ring interactions are responsible for crystal stabilization.     

The two‐dimensional coordination polymer poly[[bis(3‐methyl­pyridine)­cadmium(II)]‐tetra‐μ‐cyano‐nickel(II)]

The title complex, [CdNi(CN)₄(C₆H₇N)₂]_n, adopts a slightly distorted octahedral geometry around the Cd centre. Four cyanide N atoms occupy the equatorial coordination sites around the Cd centre. The structure consists of corrugated and cyanide‐bridged polymeric networks made up of tetracyano­nickelate ions coordinated to cadmium, with the Ni ion coordinated by four cyanide ligands in a square‐planar arrangement. The Cd and Ni atoms occupy special positions of 2/m site symmetry. The 3‐methyl­pyridine group, except for two methyl H atoms, lies on a crystallographic mirror plane. The 3‐methyl­pyridine molecules, bound to cadmium in trans positions, are located on both sides of the network. The bonding in the networks occurs because of a departure of the Ni—C—N—Cd sequence of atoms from linearity at the C and N atoms.     

Interpenetrating nets in cis‐bis­(pyri­dine‐4‐carboxyl­ate)­nickel(II)

The title compound, [Ni(C₆H₄NO₂)₂], crystallized in a three‐dimensional framework consisting of three interpenetrating diamond‐like nets. The Ni atom is on a twofold axis, the coordination is `(O₂)₂N₂' in a cis arrangement and the ligands are bridging.     

trans‐Bis­[1‐methyl‐3‐(p‐nitro­phenyl)­triazenido 1‐oxide‐κ2N3,O]­di­pyridine­nickel(II)

In the centrosymmetric title complex, [Ni(C₇H₇N₄O₃)₂(C₅H₅N)₂], the coordination geometry about the Ni²⁺ ion is octahedral, with two deprotonated 1‐methyl‐3‐(p‐nitro­phenyl)­triazenide 1‐oxide ions, viz. [O₂N­C₆H₄­NNN(O)­CH₃]^?, acting as bidentate ligands (four‐electron donors). Two neutral pyridine (py) mol­ecules complete the coordination sphere in positions trans to each other. The triazenide 1‐oxide ligand is almost planar, the largest interplanar angle of 8.80 (12)° being between the phenyl ring of the p‐nitro­phenyl group and the plane defined by the N₃O moiety. The Ni—N_triazenide, Ni—O and Ni—N_py distances are 2.0794 (16), 2.0427 (13) and 2.1652 (18) Å, respectively.     

(μ‐2,6‐Bis{[(2‐hydroxy­phenyl)­(2‐pyri­dyl­methyl)­amino]­methyl}‐4‐methyl­phenolato)­bis­[di­aqua­nickel(II)] ace­tate dimethyl­formamide 0.75‐hy­drate

The binuclear cation of the title compound, [Ni₂(C₃₃H₂₉­N₄O₃)(H₂O)₄]C₂H₃O₂·C₃H₇NO·0.75H₂O, was synthesized as a model for the active site of urease. Two tridentate halves of the symmetrical 2,6‐bis{[(2‐hydroxy­phenyl)(2‐pyridyl­methyl)­amino]­methyl}‐4‐methyl­phenolate (BPPMP^3?) ligand are arranged in a meridional fashion around the two Ni^II ions, with the phenoxo O atom bridging the Ni^II ions. The cation has an approximate twofold rotation axis running through the C—O bond of the bridging phenolate group. Four water mol­ecules complete the octahedral environment of each Ni^II ion.     

Bis­(di‐μ‐acetato‐aqua{2‐[N‐ethyl‐N‐(2‐hydroxy‐4‐methyl­benzyl)­amino­methyl]‐1‐methyl­benz­imid­az­ole}­nickel)­nickel(II) tetra­hy­drate

The previously unknown title compound, tetra‐μ‐ace­tato‐1:2κ²O;1:2κ²O:O′;­2:3κ²O;­2:3κ²O:O′‐di­aqua‐1κO,3κO‐bis­(μ‐2‐{[N‐ethyl‐N‐(2‐hy­droxy‐5‐methylbenzyl)­am­ino]­methyl}‐1‐methyl‐1H‐benz­imid­az­ole)‐1κ³N³,N,O:2κO;3κ³N³,N,O:2κO‐tri­nickel(II) tetra­hy­drate, [Ni₃(C₁₈H₂₂N₃O)₂(C₂H₃O₂)₄(H₂O)₂]·­4H₂O, (I), is a centrosymmetric linear trinuclear nickel(II) complex, where the Ni atoms are in an octahedral coordination and the ligand heteroatoms act so as to model amino acid residues.     

[2,6‐Bis(1H‐benzimidazol‐2‐yl‐κN3)­pyridine‐κN](di­methyl­form­amide‐κO)­(thio­sulfato‐κ2O,S)­nickel(II) mono­hydrate

The structure of the title compound, [Ni(ths)(bbip)(dmf)]·­H₂O [ths is thio­sulfate, S₂O₃; bbip is 2,6‐bis(1H‐benz­imidazol‐2‐yl)­pyridine, C₂₁H₁₃N₅; and dmf is di­methyl­form­amide, C₃H₇NO], is monomeric, with the nickel ion octahe­drally surrounded by an N,N′,N′′‐tridentate bbip mol­ecule, an S,O‐bidentate ths mol­ecule and an O‐monodentate dmf mol­ecule. The H atoms of the hydration water mol­ecule and the amino groups of bbip are involved in hydrogen bonding and determine a spatial organization of broad layers parallel to (001), which are connected by weak interactions.     

Poly[tetra­aquadi‐μ3‐malonato‐cobalt(II)­calcium(II)]

The structure of the polymeric title compound, [CaCo(C₃H₂O₄)₂(H₂O)₄]_n, consists of CaO₈ and CoO₆ polyhedra linked together by malonate groups. The Co atom lies on a centre of symmetry in an octa­hedral arrangement, and is coordinated by four malonate O atoms in a planar arrangement and two water mol­ecules in a trans conformation. The geometry around the Ca atom, which lies on a twofold axis, may be described as a distorted square anti­prism, which involves two water mol­ecules and six malonate O atoms. The Co—O and Ca—O bond lengths are in the ranges 2.0711 (12)–2.1004 (14) and 2.3775 (12)–2.6329 (12) Å, respectively.     

Bis(1,2‐diaminobenzene‐N)­bis(1,1,1,5,5,5‐hexa­fluoro­pen­tane‐2,4‐dion­ato‐O,O′)­iron(II), ‐cobalt(II) and ‐nickel(II) at low temperature

Addition of 1,2‐phenylenediamine to solutions ofbis(1,1,1,5,5,5‐hexafluoropentane‐2,4‐dionato‐O,O′)cobalt(II),‐iron(II) and ‐nickel(II) resulted in crystals containing centrosymmetric octahedral complexes with two amines per metal atom. In all three iso­structural complexes, i.e. [M(C₅HF₆O₂)₂(C₆H₈N₂)₂] where M = Fe, Cu and Ni, the two C—N bonds differ significantly in length by an average of 0.031 (3) Å. The phenyl C—C bonds display a pattern of small differences, the C—C bond between the amines being longer than the shortest phenyl C—C bonds by an average of 0.022 (4) Å.     

trans‐Bis­[O‐2,4‐di‐tert‐butyl­phenyl (4‐methoxy­phenyl)­di­thio­phosphonato‐κ2S,S′]­nickel(II)

In the the title compound, [Ni(C₂₁H₂₈O₂PS₂)₂], the Ni atom resides on an inversion centre and is coordinated in a square‐planar array by four S atoms, with Ni—S and P—S bond lengths of 2.2336 (12)/2.2351 (13) and 1.9910 (16)/2.0010 (17) Å, respectively. The two O‐2,4‐di‐tert‐butyl­phenyl and two 4‐methoxy­phenyl moieties adopt trans configurations about the central Ni atom.     

Polymeric hexa­aqua­hexakis(μ3‐2,2′‐oxy­diacetato)­trizinc(II)­digadolinium(III) dodecahydrate

A polymeric heterometallic compound, {[Gd₂Zn₃(C₄H₄O₅)₆(H₂O)₆]·12H₂O}_n, comprising zinc(II) and gadolinium(III) cations bridged by carboxyl­ate groups from oxy­di­acetate ligands, is presented. The Gd^III cations lie at sites with crystallographic 32 symmetry and display a tricapped trigonal‐prism arrangement, which is defined by six carboxyl and three ether O atoms. The Zn^II cations lie at sites with imposed 2/m symmetry and are octahedrally coordinated by four carboxyl O atoms and two apical water ligands, which form strong intramolecular hydrogen bonds. Comparison is made with the previously reported isostructural homologous copper–gadolinium complex.