trans‐Di­aqua(C‐meso‐5,12‐di­methyl‐1,4,8,11‐tetra­aza­cyclo­tetra­decane‐N,N′,N′′,N′′′)copper(II) dichloride dihydrate

The crystal structure of the title complex, [Cu(C₁₂H₂₈N₄)(H₂O)₂]Cl₂·2H₂O, has been determined. The Cu^II atom is octahedrally coordinated by the four N atoms of the tetradentate macrocyclic ligand in equatorial positions and by the O atoms of two water mol­ecules in axial positions. The crystal structure is stabilized by a three‐dimensional network of hydrogen bonds.     

A chloro(2‐pyridinecarboxaldehyde)(2,2′:6′,2′′‐ter­pyridine)­ruthenium(II) complex

The aldehyde moiety in the title complex, chloro(2‐pyridinecarboxaldehyde‐N,O)(2,2′:6′,2′′‐terpyridine‐κ³N)ruthenium(II)–chloro­(2‐pyridine­carboxyl­ic acid‐N,O)(2,2′:6′,2′′‐ter­pyridine‐κ³N)­ruthenium(II)–perchlorate–chloro­form–water (1.8/0.2/2/1/1), [RuCl­(C₆H₅NO)­(C₁₅H₁₁N₃)]_1.8[RuCl­(C₆H₅­NO₂)(C₁₅H₁₁N₃)]_0.2­(ClO₄)₂·­CHCl₃·­H₂O, is a structural model of substrate coordination to a transfer hydrogenation catalyst. The title complex features two independent Ru^II complex cations that display very similar distorted octahedral coordination provided by the three N atoms of the 2,2′:6′,2′′‐ter­pyridine ligand, the N and O atoms of the 2‐pyridine­carbox­aldehyde (pyCHO) ligand and a chloride ligand. One of the cation sites is disordered such that the aldehyde group is replaced by a 20 (1)% contribution from a carboxyl­ic acid group (aldehyde H replaced by carboxyl O—H). Notable dimensions in the non‐disordered complex cation are Ru—N 2.034 (2) Å and Ru—O 2.079 (2) Å to the pyCHO ligand and O—C 1.239 (4) Å for the pyCHO carbonyl group.     

Aqua[bis(pyrimidin‐2‐yl‐κN)amine](carbonato‐κ2O,O′)copper(II) dihydrate

The title mononuclear complex, [Cu(CO₃)(C₈H₇N₅)(H₂O)]·2H₂O, was obtained by fixation of CO₂ by a mixture of copper(II) tetra­fluoro­borate and the ligand bis­(pyrimidin‐2‐yl)­amine in ethanol/water. The Cu^II ion of the complex has a distorted square‐pyramidal environment, with a basal plane formed by two N atoms of the ligand and two chelating O atoms of the carbonate group, while the apical position is occupied by the O atom of the coordinating water mol­ecule. In the solid state, hydrogen‐bonding interactions are dominant, the most unusual being the Watson–Crick‐type coplanar ligand pairing through two N—H?N bonds. Lattice water mol­ecules also participate in hydrogen bonding.     

(N‐{[4‐(1,3‐Benzothiazol‐2‐yl)anilino]carbonylmethyl‐κO}iminodiacetato‐κ3O,N,O′)(1,10‐phenanthroline‐κ2N,N′)cobalt(II) pentahydrate

The title compound, [Co(C₁₉H₁₅N₃O₅S)(C₁₂H₈N₂)]·5H₂O, has a moderately distorted octahedral coordination environment composed of two N atoms of a 1,10‐phenanthroline ligand and one N and three O atoms of an N‐{[4‐(1,3‐benzothiazol‐2‐yl)anilino]carbonylmethyl}iminodiacetate (ZL‐5²⁻) ligand. The ring systems of the phenanthroline and ZL‐5²⁻ ligands are coplanar and the complexes pack in layers parallel to the ab plane with the rings of adjacent complexes facing one another. The layers stack along the c axis and are linked by hydrogen bonds involving the five water solvent molecules in the asymmetric unit and O atoms of the acetate groups of the ZL‐5²⁻ ligand. This is believed to be the first crystal structure of a complex of a 2‐(4‐aminophenyl)benzothiazole ligand.     

Di‐μ‐chlorido‐bis({2‐[1‐(2‐pyridylethylimino)ethyl]pyrrolato‐κ3N,N′,N′′}copper(II))

The title compound, [Cu₂(C₁₃H₁₄N₃)₂Cl₂], is a neutral dimeric copper(II) complex. The two Cu^II atoms are asymmetrically bridged by two chloride ions. Each Cu^II atom is also bound to the three N atoms of a deprotonated tridentate Schiff base ligand, giving a distorted square‐pyramidal N₃Cl₂ coordination environment overall. The dinuclear complex lies across an inversion centre in the space group P. This work demonstrates the effect of ligand flexibility and steric constraints on the structures of copper(II) complexes.     

Chloro[N,N′‐ethyl­enediimino­bis(acetyl­acetonato)]gallium(III)

In the title compound, [Ga(C₁₂H₁₈N₂O₂)Cl], the Ga atom is coordinated to a Cl atom and the two imine N and two enolate O atoms of the Schiff base ligand. The literature reveals few examples of a five‐coordinate GaO₂N₂Cl environment, and only two where both the N and the O atoms are contained within the same ligand. This configuration has the effect of constraining the complex into a square‐pyramidal geometry with less distortion than if formed by two or more ligands. The Ga—N and Ga—O distances are within the ranges expected for Ga–Schiff base derivatives. This compound is also the first group 13 complex containing the N,N′‐ethyl­ene­bis­(acetyl­acetoneimine) (acacen) ligand.     

{4‐Bromo‐2‐[2‐(5‐bromo‐2‐oxido­benzyl­idene­amino­methyl)­phenyl­imino­methyl]­phenolato‐κ4O,N,N′,O′}nickel(II)

In the title complex, [Ni(C₂₁H₁₄Br₂N₂O₂)], the Ni^II atom is coordinated by the two imine N and two phenolate O atoms of the Schiff base ligand in a tetrahedrally distorted square‐planar geometry. The Ni—N and Ni—O distances are within the ranges expected for Ni–Schiff base derivatives. Intermolecular C—H⋯O hydrogen bonds link the mol­ecules into centrosymmetric dimers, forming (12) (A) and (10) (B) rings. These dimers combine to form a supramolecular ABAB… aggregate which propagates along the [100] direction.     

(2,2′‐Bipyridyl‐κ2N,N′)­bis­(salicyl­ato‐κ2O,O′)­zinc(II)

The asymmetric unit of the title compound, [Zn(C₇H₅O₃)₂(C₁₀H₈N₂)], contains one monomeric zinc complex. The Zn atom is coordinated to one 2,2′‐bipyridyl ligand via both N atoms and to two salicyl­ate anions (Hsal⁻) in a bidentate chelating manner involving carboxyl­ate O‐atom coordination. The complex exhibits a distorted octahedral geometry about the Zn^II atom, with the `apical' positions occupied by one of the two N atoms of the bipyridyl ligand and an O atom from one Hsal<sup>−</sup> ligand; the Zn atom is 0.168 (1) Å out of the `basal' plane. Two intramolecular six‐membered hydrogen‐bonded rings are present, generated from interactions between the carboxyl and hydroxyl groups of the salicyl­ate ligands. The crystal packing is governed by weak C—H⋯O and C—H⋯π interactions.     

Bis(methanol‐κO)dioxido[3,3′‐(1H‐1,2,4‐triazole‐3,5‐diyl)diphenolato‐κ3O,N4,O′]uranium(VI) methanol monosolvate

The structure of the title compound, [U(C₁₄H₉N₃O₂)O₂(CH₃OH)₂]·CH₃OH, is the first to be reported for an actinide complex including triazole ligands. The U^VI atom exhibits a pentagonal–bipyramidal NO₆ coordination environment, involving two axial oxide ligands [U=O = 1.766 (3) and 1.789 (3) Å], four equatorial O atoms [U—O = 2.269 (3)–2.448 (3) Å] from the ligand and the two coordinated methanol molecules, and one equatorial N atom [U—N = 2.513 (4) Å] from the ligand. In the crystal structure, the complex molecules are linked via intermolecular N—H...O and O—H...O hydrogen bonds to form a two‐dimensional structure.     

catena‐Poly­[[di‐μ‐benzoato‐κ4O:O′‐disilver(I)]‐μ‐N,N′‐bis(2‐fluoro­benzyl­idene)­butane‐1,4‐di­amine‐κ2N:N′]

The title complex, [Ag₂(C₇H₅O₂)₂(C₁₈H₁₈F₂N₂)]_n, is a dinuclear silver(I) compound with one inversion centre between pairs of Ag atoms and another at the mid‐point of the central C—C bond in the butane‐1,4‐diamine moiety. Each of the smallest repeat units consists of two silver(I) cations, two benzoate anions and one N,N′‐bis(2‐fluorobenzyl­idene)­butane‐1,4‐di­amine Schiff base ligand. Each Ag^I ion is three‐coordinated in a trigonal configuration by two O atoms from two benzoate anions and one N atom from a Schiff base ligand. The di‐μ‐benzoato‐disilver(I) moieties are linked by the bridging Schiff base ligand, giving zigzag polymeric chains with an [–Ag⋯Ag—N—C—C—C—C—N–]_n backbone running along the b axis.     

μ‐Acetato‐1:2κ2O:O′‐diacetato‐1κ2O,O′;2κO‐bis(di‐2‐pyridylamine)‐1κ2N,N′;2κ2N,N′‐isothiocyanato‐2κN‐dicopper(II)

In the title dinuclear acetate‐bridged complex, [Cu₂(C₂H₃O₂)₃(NCS)(C₁₀H₉N₃)₂], the two Cu atoms are five‐coordinated, with a basal plane consisting of two N atoms of a di‐2‐pyridylamine (dpyam) ligand and two O atoms of two different acetate ligands. The axial positions of these Cu atoms are coordinated to N and O atoms from thio­cyanate and acetate mol­ecules, respectively, leading to a distorted square‐pyramidal geometry with τ values of 0.30 and 0.22. Both Cu^II ions are linked by an acetate group in the equatorial–equatorial positions and have syn–anti bridging configurations. Hydrogen‐bond inter­actions between the amine H atom and the coordinated and uncoordinated O atoms of the acetate anions generate an infinite one‐dimensional chain.     

Bis[1‐(2‐hydroxyethyl)‐4,10‐diazapyrazolo[4,3‐b]fluoren‐5(1H)‐one thiosemicarbazonato]zinc(II) dimethylformamide trisolvate monohydrate

In the title Schiff base complex, [Zn(C₁₅H₁₂N₇OS)₂]·3C₃H₇NO·H₂O, each Zn^II atom is six‐coordinated in a distorted octahedral environment by two ligands acting in a tridentate chelating mode through two N atoms and one S atom. The coordination mode of the ligand is nearly planar. There are three dimethylformamide molecules and one water molecule solvating the complex. The coordination behavior of the ligand is compared with that of related ligands in similar complexes.     

Dichloro(2,2′‐diamino‐4,4′‐bi‐1,3‐thiazole‐N3,N3′)copper(II)

The title complex, [CuCl₂(C₆H₆N₄S₂)], has a flattened tetrahedral coordination. The Cu^II atom is located on a twofold rotation axis and is coordinated by two N atoms from a chelating 2,2′‐di­amino‐4,4′‐bi‐1,3‐thia­zole ligand and by two Cl atoms. Intramolecular hydrogen bonding exists between the amino groups of the 2,2′‐di­amino‐4,4′‐bi‐1,3‐thia­zole ligand and the Cl atoms. The intermolecular separation of 3.425 (1) Å between parallel bi­thia­zole rings suggests there is a π–π interaction between them.     

μ‐Oxo‐bis{[(6‐hydroxy­methyl‐2‐pyridyl­methyl)­bis(2‐pyridyl­methyl)­amine‐κ5N,N′,N′′,N′′′,O]­iron(III)} tetrakis­(perchlorate)

The novel μ‐oxo‐diiron complex [Fe₂O(BPHPA)₂](ClO₄)₄ [BPHPA is (6‐hydroxy­methyl‐2‐pyridyl­methyl)­bis(2‐pyridyl­methyl)­amine, C₁₉H₂₀N₄O], contains a binuclear centrosymmetric [Fe₂O(BPHPA)₂]⁴⁺ cation (the bridging O atom lies on an inversion centre) and four perchlorate anions. Each iron ion is coordinated by four N atoms [Fe—N = 2.117 (5)–2.196 (5) Å] and one O atom [Fe—O = 2.052 (5) Å] from a BPHPA ligand, and by one bridging oxo atom [Fe—O = 1.7896 (9) Å], forming a distorted octahedron. There are hydrogen bonds between the hydroxy group and perchlorate O atoms [O—H·O = 2.654 (7) Å].     

Chlorido[N,N′‐dibenzyl‐N′′‐(trichloroacetyl)phosphoramidato‐κ2O,O′](1,10‐phenanthroline‐κ2N,N′)copper(II)

In the title complex, [Cu(C₁₆H₁₆Cl₃N₃O₂P)Cl(C₁₂H₈N₂)], the Cu^II cation presents a square‐pyramidal environment, where the CuO₂N₂ base is formed by two O atoms from carbonyl and phosphoryl groups, and by two N atoms from a 1,10‐phenanthroline molecule. A coordinated Cl atom occupies the apex. N—H...Cl hydrogen bonds link the molecules into one‐dimensional chains. The trichloromethyl group is rotationally disordered over two positions, with occupancies of 0.747 (7) and 0.253 (7).     

(μ‐Oxalato‐O1,O2:O1′,O2′)bis[aqua(diethyl­enetri­amine)nickel(II)] bis(hexafluorophosphate) dihydrate

The title compound, [Ni₂(C₂O₄)(C₄H₁₃N₃)₂(H₂O)₂](PF₆)₂·‐2H₂O, contains a dinuclear oxalato‐bridged nickel(II) complex cation. The structure determination reveals the presence of a centrosymmetric binuclear complex where the oxalate ligand is coordinated in a bis­‐bidentate mode to the Ni atoms. The distorted octahedral environment of each Ni atom is completed by the three N atoms of the diethyl­enetri­amine ligand in a fac arrangement and by one O atom from a water mol­ecule. PF₆^? acts as counter‐anion. A two‐dimensional network of hydrogen bonds links the cations and anions and stabilizes the structure.     

(μ‐C‐meso‐5,5,7,12,12,14‐Hexa­methyl‐1,4,8,11‐tetra­aza­cyclo­tetra­decane‐N‐acetato‐1κ5N,N′,N′′,N′′′,O:2κO′)­tetra­chloro‐1κCl,2κ3Cl‐cobalt(III)­zinc(II)

The crystal structure of the title compound, [CoCl(C₁₈H₃₇N₄O₂){ZnCl₃}], has been determined by X‐ray diffraction.C‐meso‐5,5,7,12,12,14‐Hexa­methyl‐1,4,8,11‐tetra­aza­cyclotetradecane‐N‐acetate acts as a bridging ligand to coodinate with Co^III and Zn^II ions. The Co^III ion is six‐coordinate in a nearly octahedral environment provided by one Cl atom, four N atoms of the bridging ligand, and one O atom. The Zn^II ion is four‐coordinate in a distorted tetrahedral environment completed by three Cl atoms and an O atom of the bridging ligand.     

Aqua(2,2′‐bi‐1H‐imidazole)chloro­copper(II) chloro­(imino­diacetato)copper(II) monohydrate

In the title compound, [CuCl(C₆H₆N₄)(H₂O)][Cu(C₄H₅NO₄)Cl]·H₂O, the Cu^II atom in the cation is coordinated by one Cl⁻ ion, two N atoms of the 2,2′‐biimidazole ligand and one aqua ligand. Within the anion, the Cu^II atom is bonded to one Cl⁻ ion, and one N and two O atoms of the imino­diacetate ligand. Neighbouring cations and anions are connected to each other by Cu·Cl semi‐coordination bonds of 2.830 (12) and 3.071 (12) Å, forming a Cu₂Cl₂ rectangular unit. The dinuclear units further link into a polymeric chain along the a axis through Cu·O_aqua interactions of 2.725 (3) Å. Including the long coordination bonds, the geometries around the Cu atoms in the cation and anion are square‐pyramidal and distorted octahedral, respectively.     

Tetrakis(2,2′‐bipyridine‐κ2N,N′)­tetrakis(μ‐salicyl­ato‐κ3O,O′:O′′)‐quadro‐tetrazinc(II) decahydrate

The title compound, [Zn₄(C₇H₄O₃)₄(C₁₀H₈N₂)₄]·10H₂O, crystallizes as a centrosymmetric tetranuclear cyclic complex containing four Zn^II atoms bridged by four carboxyl­ate groups from salicyl­ate ligands, with a syn–anti configuration. Each Zn^II atom has a distorted trigonal–bipyramidal coordination geometry, formed by two N atoms of a 2,2′‐bipyridine ligand and three O atoms from two salicyl­ate ligands. The complex is stabilized by intramolecular π–π interactions between pairs of bi­pyridine rings and a 16‐membered gear‐wheel‐shaped cyclic framework. The hydrogen‐bonding network is formed via the water mol­ecules.