Bis[1‐(pyridin‐2‐yl)­ethano­ne‐κN 4‐phenyl­thio­semicarbazonato‐κ2N4,S]­manganese(II)

One half of the mol­ecule of the title complex, [Mn(C₁₄H₁₃N₄S)₂], is related to the other half by a twofold axis passing through the Mn atom. This high‐spin Mn atom is six‐coordinated, in an octahedral geometry, by the azomethine N, the pyridyl N and the thiol­ate S atom of two planar 1‐­(pyridin‐2‐yl)­ethanone N(4)‐phenyl­thio­semicarbazone lig­ands. In the crystal, the mol­ecules are interconnected by N—­H?S and C—H?N interactions, forming a three‐dimensional network.     

Tris(3,5‐di­methyl‐1H‐pyrazole‐1‐thio­carboxamidato‐κ2N2,N)­cobalt(III)

In the crystal structure of the title complex, [Co(C₆H₈N₃S)₃], the Co^III atom is octahedrally coordinated by three monodeprotonated bidentate 3,5‐di­methyl‐1H‐pyrazole‐1‐thio­carbox­amide ligands with two thio­carbox­amide N atoms in axial positions. The asymmetric unit contains two mol­ecules (A and B) and these mol­ecules are arranged in chains in an alternating fashion connected by N—H⋯S interactions.     

trans‐Di­aqua­bis­(thio­semicarb­azido‐κ2N,S)­nickel(II) dimaleate dihydrate

In the title compound, [Ni(CH₅N₃S)₂(H₂O)₂](C₄H₃O₄)₂·2H₂O, the Ni atom lies on a center of symmetry and is coordinated by N and S atoms from two thio­semicarbazide ligands and the O atoms of two water mol­ecules in a distorted octahedral geometry. In the asymmetric unit, the three components are linked together by one O—H⋯O and two N—H⋯O hydrogen bonds. The packing is built from molecular ribbons parallel to the b direction, stabilized by intramolecular hydrogen bonds, and by one N—H⋯S and two N—H⋯O intermolecular hydrogen bonds. The ribbons are further connected into columns by N—H⋯O interactions and then into a three‐dimensional network by three O—H⋯O hydrogen bonds.     

trans‐Di­aqua­bis(5‐carboxy‐1H‐imidazole‐4‐carboxyl­ato‐κ2N3,O4)­cobalt(II) 4,4′‐bi­pyridine solvate

In the title compound, [Co(C₅H₃N₂O₄)₂(H₂O)₂]·C₁₀H₈N₂, the Co atom is trans‐coordinated by two pairs of N and O atoms from two monoanionic 4,5‐di­carboxy­imidazole ligands, and by two O atoms from two coordinated water mol­ecules, in a distorted octahedral geometry. The 4,4′‐bi­pyridine solvent molecule is not involved in coordination but is linked by an N—H⋯N hydrogen bond to the neutral [Co(C₅H₃N₂O₄)₂(H₂O)₂] mol­ecule. Both mol­ecules are located on inversion centers. The crystal packing is stabilized by N—H⋯N and O—H⋯O hydrogen bonds, which produce a three‐dimensional hydrogen‐bonded network. Offset π–π stacking interactions between the pyridine rings of adjacent 4,4′‐bi­pyridine molecules were observed, with a face‐to‐face distance of 3.345 (1) Å.     

trans‐Bis­(diethano­lamine)­bis­(iso­thio­cyanato)­nickel(II)

In the neutral title complex, trans‐bis(2,2′‐imino­di­ethanol‐N,O)­bis­(iso­thio­cyanato)­nickel(II), [Ni(NCS)₂(C₄H₁₁NO₂)₂], the iso­thio­cyanate ions and the di­ethanol­amine mol­ecules act as mono­dentate and bi­dentate ligands, respectively. The Ni^II ion exhibits a distorted octahedral configuration with crystallographically imposed inversion symmetry and N_NCS—Ni—N_amine and N_NCS—Ni—O_amine bond angles of 88.78 (10) and 89.44 (10)°, respectively. The Ni—N bond distances are in the range 2.069 (3)–2.096 (2) Å. The mol­ecules are linked by hydrogen bonds to form a three‐dimensional infinite lattice.     

Bis(2‐amino­pyridine‐N)­bis­(benzoato‐O)­zinc

The crystal structure of the title compound, [Zn‐(C₇H₅O₂)₂(C₅H₆N₂)₂], is built of monomeric [Zn(2‐apy)₂(OBz)₂] mol­ecules (apy is amino­pyridine and OBz is benzoate). The Zn atom lies on a twofold symmetry axis and adopts a slightly distorted tetrahedral coordination. The Zn?O distances to the non‐coordinated O atoms are long at 2.872 (3) Å. Each non‐ligating carbonyl O atom of the benzoate anion accepts one intramolecular and one intermolecular hydrogen bond from the amino group. The mol­ecules form a chain along the c axis through intermolecular N—H?O hydrogen bonds between the amino and carboxyl groups.     

Polymeric di­aqua­tetra‐μ‐thio­cyanato‐manganese(II)­mercury(II) bis(N,N‐di­methyl­acet­amide) solvate

In the title complex, {[MnHg(SCN)₄(H₂O)₂]·2C₄H₉NO}_n, each Mn atom is octahedrally coordinated to four equatorial thio­cyanate N atoms and two axial water O atoms. The Mn atom and two O atoms lie on a twofold axis. Two kinds of crystallographically independent Hg atoms (denoted Hg1 and Hg2) are tetrahedrally coordinated with four thiocyanate S atoms and each Hg atom lies on a axis. N,N‐Di­methyl­acet­amide mol­ecules are connected to coordinated water mol­ecules through hydrogen bonds. Each pair of Mn and Hg atoms is bridged via one thiocyanate ion. An Mn₂Hg1Hg2(SCN)₄ 16‐membered ring is formed as a unit and the four metal atoms are in a chair‐form tetrahedral arrangement. The units are linked with one another and form infinite two‐dimensional networks.     

A novel thio­cyanate‐bridged dinuclear cadmium(II) complex: di‐μ‐thio­cyanato‐bis­((methanol){4‐nitro‐2‐[2‐(dimethyl­amino)ethyl­imino­meth­yl]phenolato}cadmium(II))

The title complex, [Cd₂(C₁₁H₁₄N₃O₃)₂(NCS)₂(CH₄O)₂], is an inter­esting thio­cyanate‐bridged dinuclear cadmium(II) compound. It is located on a crystallographic inversion center. The Cd^II atom is six‐coordinated in an octa­hedral configuration by one O and two N atoms of one Schiff base ligand and by the terminal N atom of a bridging thio­cyanate ligand, defining the basal plane, and by the terminal S atom of another bridging thio­cyanate ligand and by the O atom of a coordi­nated methanol mol­ecule, occupying the axial positions. The mol­ecules are linked through inter­molecular O—H⋯O hydrogen bonds, forming chains running along the b axis.     

trans‐Bis­[N‐(2‐hydroxy­ethyl)­ethyl­ene­di­amine‐κ2N,N′]­bis­(iso­thio­cyanato‐κN)­nickel(II)

The crystal structure of the title compound, [Ni(NCS)₂(C₄H₁₂N₂O)₂], has two crystallographically independent half‐mol­ecules in the asymmetric unit, with each Ni atom residing on a centre of symmetry. The two mol­ecules exhibit similar coordination geometry but display differences with regard to other structural features. Each Ni^II centre is octahedrally coordinated by two mutually trans chelating hydroxy­ethyl­ethyl­ene­di­amine ligands and two mutually trans iso­thio­cyanate ions. The two independent mol­ecules form chains through different types of non‐covalent interactions. In the case of one of the mol­ecules, only NCS and free OH groups participate in hydrogen bonding, while in the chain based on the second mol­ecule, the NCS, NH, NH₂ and free OH groups are involved in intermolecular hydrogen bonding. The two chains interact with one another through hydrogen bonding, forming planar sheets. The third packing direction is mediated only by van der Waals interactions.     

trans‐Diaquabis(1H‐imidazole‐4,5‐di­carboxyl­ate‐κ2N3,O4)­manganese(II)

In the title compound, [Mn(C₅H₃N₂O₄)₂(H₂O)₂], the Mn^II atom lies on an inversion centre, is trans‐coordinated by two N,O‐bidentate 1H‐imidazole‐4,5‐di­carboxyl­ate monoanionic ligands [Mn—O = 2.202 (3) Å and Mn—N = 2.201 (4) Å] and two water mol­ecules [Mn—O = 2.197 (4) Å], and exhibits a distorted octahedral geometry, with adjacent cis angles of 76.45 (13), 86.09 (13) and 89.20 (13)°. The complete solid‐state structure can be described as a three‐dimensional supramol­ecular framework, stabilized by extensive hydrogen‐bonding interactions involving the coordinated water mol­ecules, the carboxy O atoms and the protonated imidazole N atoms of the imidazole‐4,5‐di­carboxyl­ate ligands.     

A one‐dimensional coordination polymer with metal–metal inter­actions: catena‐poly­[[tri­aqua­barium(II)]‐μ‐aqua‐κ2O:O‐di‐μ‐thio­salicyl­ato‐κ4O:O]

In the title compound, [Ba(C₇H₅O₂S)₂(H₂O)₄]_n, the Ba^II atom lies on a mirror plane and is nine‐coordinated by four bridging carboxylate O atoms of the thio­salicyl­ate ligands, two bridging water mol­ecules and three terminal water mol­ecules. There is an intramolecular S—H⋯O hydrogen bond between the S and O atoms in the thio­salicyl­ate ligand. A one‐dimensional coordination polymer is formed via weak metal–metal interactions along polymeric zigzag chains.     

A host–guest complex of di­aqua­bis­[1‐hydroxy‐2(1H)‐pyridine­thionato‐O,S]­magnesium(II) and 2,2′‐di­thio­bis­(pyridine N‐oxide)

The title compound, [Mg(C₅H₄NOS)₂(H₂O)₂]·C₁₀H₈N₂O₂S₂, is a two‐component host–guest material. The 2,2′‐di­thio­bis(pyridine N‐oxide) molecule has crystallographic twofold symmetry. The metal complex lies on an inversion centre and associates via C—H?S interactions into chains which thread the 2,2′‐di­thio­bis­(pyridine N‐oxide) lattice in perpendicular directions. Hydro­gen bonds exist between the water mol­ecules of the di­aqua­magnesium units and the N—O groups of the host lattice.     

Di­aqua­bis­(pyridine‐2‐carbox­amide‐κ2N1,O2)­nickel(II) disaccharinate tetrahydrate

In the crystal structure of the title compound, [Ni(C₆H₆N₂O)₂(H₂O)₂](C₇H₄NO₃S)₂·4H₂O or [Ni(pia)₂(H₂O)₂](sac)₂·4H₂O (pia is picolin­amide or pyridine‐2‐carbox­amide, and sac is the saccharinate anion), the Ni²⁺ cation, located on a centre of symmetry, is coordinated by two symmetry‐related aqua ligands together with a pair of symmetry‐related bidentate pia mol­ecules and exhibits a distorted octahedral environment. The unique unligated sac anion in the asymmetric unit resides on a general position and has a single negative charge. The coordinated water mol­ecules link the sac ions to the metal complex via O—H⋯O hydrogen bonds. In addition, the sac ions are linked to the metal complex via intermolecular π–π interactions between the benzene ring of the sac ion and the pyridine ring of a pia ligand. Each uncoordinated water mol­ecule is hydrogen bonded to sac moieties through O—H⋯O and O—H⋯N hydrogen bonds.     

Bis(3‐amino­pyridine‐κN)(4,4′‐di­methyl‐2,2′‐bipyridine‐κ2N,N′)(per­chlorato‐κO)copper(II) per­chlorate

The title compound, [Cu(ClO₄)(C₅H₆N₂)₂(C₁₂H₁₂N₂)]ClO₄, was prepared by in situ partial ligand substitution between 3‐amino­pyridine and 4,4′‐dimethyl‐2,2′‐bipyridine at room temperature. The central copper(II) ion is five‐coordinated by one bidentate 4,4′‐dimethyl‐2,2′‐bipyridine mol­ecule, two monodentate pyridine‐coordinated 3‐amino­pyridine mol­ecules and one apical O atom from the perchlorate counter‐ion. Inter­molecular N—H⋯O and C—H⋯O hydrogen‐bonding inter­actions form a hydrogen‐bond‐sustained network.     

N,N′‐Bis(2‐pyridylmeth­yl)ferrocene‐1,1′‐diyldicarboxamide and N,N′‐bis­(3‐pyridylmeth­yl)ferrocene‐1,1′‐diyldicarboxamide

The mol­ecules of N,N′‐bis­(2‐pyridylmeth­yl)ferrocene‐1,1′‐diyl­dicarboxamide, [Fe(C₁₂H₁₁N₂O)₂], contain intra­molecular N—H⋯N hydrogen bonds and are linked into sheets by three independent C—H⋯O hydrogen bonds. The mol­ecules of the isomeric compound N,N′‐bis­(3‐pyridylmeth­yl)ferrocene‐1,1′‐diyldicarboxamide lie across inversion centres, and the mol­ecules are linked into sheets by a combination of N—H⋯N hydrogen bonds and π–π stacking inter­actions between pyridyl groups.     

catena‐Poly[tris(ethylenediamine‐κ2N,N′)nickel(II) [[trithiocyanato‐κ3N‐sodium(I)]‐μ‐aqua‐κ2O:O]]

The title complex, {[Ni(C₂H₈N₂)₃][Na(NCS)₃(H₂O)]}_n, con­sists of discrete [Ni(en)₃]²⁺ dications (en is ethyl­enedi­amine) and polymeric [(H₂O)_0.5Na(NCS)₃(H₂O)_0.5]_n^2n? anions. The compound crystallizes in space group Pc1. The Ni^II atom lies on a threefold axis and has a distorted octahedral coordination geometry. The Na⁺ cation also lies on a site with imposed crystallographic threefold symmetry and is coordinated by the thio­cyanate N atoms (the thio­cyanates are in general posi­tions), by one water mol­ecule with crystallographically imposed 32 symmetry and by a second water mol­ecule with crystallographically imposed symmetry. The unique Na atom thus has trigonal–bipyramidal coordination. The O atoms of the water mol­ecules bridge the Na⁺ cations to form one‐dimensional polymeric chains in the crystal structure. The [Ni(en)₃]²⁺ dications are distributed around and between the chains and are linked to them via N—H?S hydrogen bonds.     

trans‐[N,N′‐Bis­(salicyl­idene)­cyclo­hexane‐1,2‐diaminato]­nickel(II)–chloro­form (1/1)

In the title complex, trans‐{2,2′‐[cyclo­hexane‐1,2‐diyl­bis­(ni­t­rilo­methyl­idyne)]­di­phenol­ato‐κ⁴O,N,N′,O′}­nickel(II)–chloro­form (1/1), [Ni(C₂₀H₂₀N₂O₂)]·CHCl₃, the Ni atom has a square‐planar geometry, slightly tetrahedrally distorted. The Ni—N and Ni—O bonding distances are within the expected ranges for Ni–Schiff base derivatives. The di­imine bridge has a gauche conformation with the cyclo­hexyl ring almost coplanar with the NiN₂O₂ plane. The complex mol­ecules pack in dimers with an Ni?Ni distance of 3.59 (1) Å and form a three‐dimensional structure displaying a herring‐bone configuration. Channels are occupied by solvent mol­ecules, which are involved in C—H?O hydrogen bonds with the ligand O atoms.     

Bis­[chloro­bis(1,10‐phenanthroline‐N,N′)(thio­urea‐S)­nickel(II)] chloride nitrate diethanol solvate

The crystal structure of the title compound, [NiCl(C₁₂H₈N₂)₂(CH₄N₂S)]₂(NO₃)­Cl·­2C₂H₆O, is formed by [Ni(phen)₂(thio­urea)Cl]⁺ cations (phen = 1,10‐phenanthroline), chloride and nitrate counter‐ions, and ethanol solvate mol­ecules. The Ni atom is octahedrally coordinated to two bidentate phen ligands, a monodentate thio­urea and a chloride ion. Both the chloride and nitrate anions, which provide charge balance, are located at special positions on a twofold symmetry axis. Hydro­gen bonds play a key role in the packing and conformation of the cation and create a three‐dimensional network.     

N‐Cyclo­hexyl‐2‐[5‐(4‐pyridyl)‐4‐(p‐tolyl)‐4H‐1,2,4‐triazol‐3‐yl­sulfanyl]­acetamide dihydrate

In the title compound, C₂₂H₂₅N₅OS·2H₂O, the mol­ecules are stacked in columns running along the b axis. In this arrangemant, the mol­ecules are linked to each other by a combination of one two‐centre N—H⋯O hydrogen bond and four two‐centre O—H⋯O hydrogen bonds containing two types of ring motif, viz.R₄⁴(10) and R₃³(11). In the crystal structure, centrosymmetric π–π inter­actions between the triazole rings, with a distance of 3.691 (2) Å between the ring centroids, also affect the packing of the mol­ecules.     

catena‐Poly[[{4‐bromo‐2‐[2‐(di­methyl­amino)­ethyl­imino­meth­yl]­phenolato}­copper(II)]‐μ‐thio­cyanato]

The title complex, [Cu(C₁₁H₁₄BrN₂O)(NCS)]_n, is an inter­esting thio­cyanate‐bridged polynuclear copper(II) compound, which crystallizes with two independent mol­ecules in the asymmetric unit. Each Cu^II atom is five‐coordinate in a square‐pyramidal configuration, with one O and two N atoms of one Schiff base ligand and one terminal N atom of a bridging thio­cyanate ligand defining the basal plane, and one terminal S atom of another bridging thio­cyanate ligand occupying the apical position. The {4‐bromo‐2‐[2‐(dimethyl­amino)ethyl­imino­meth­yl]phenolato}copper(II) units are linked by the bridging thio­cyanate ligands, forming polymeric chains running along the a axis. There are weak inter­molecular C—H⋯O and C—H⋯S hydrogen bonds between the chains in the crystal structure.