Bis­[2‐(pyrazol‐3‐yl)­phenolato‐κ2N2,O]copper(II) dimethanol solvate

The title compound, [Cu(C₉H₇N₂O)₂]·2CH₃OH, contains a crystallographically centrosymmetric near‐regular square planar Cu^II centre with trans‐disposed chelating ligands. The complex mol­ecules associate into a one‐dimensional polymeric chain via hydrogen bonding to the solvent mol­ecules.     

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.     

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.     

Di­aqua­bis(4,5‐di­hydro‐1,2,4‐triazolo[1,5‐a]­pyrimidin‐5‐one‐N3)bis­(thiocyanato‐N)­nickel(II)

The title compound, [Ni(NCS)₂(C₅H₄N₄O)₂(H₂O)₂], crystallizes in the triclinic space group P. The molecular unit contains two neutral mol­ecules of 4,5‐di­hydro‐1,2,4‐triazolo[1,5‐a]­pyrimidin‐5‐one (5HtpO) coordinated through the N atom in position 3, two thio­cyanate ligands coordinated through their N atoms and two water mol­ecules completing an octahedral environment around the Ni^II ion, which lies on a centre of inversion. The structure is stabilized by hydrogen bonding. Distances in the coordination sphere are Ni—N3(5HtpO) 2.132 (2), Ni—O(water) 2.085 (2) and Ni—N(thio­cyanato) 2.040 (2) Å.     

Bis­[(R)‐3,5‐di­chloro‐N‐(1‐phenyl­ethyl)­salicyl­idene­aminato‐κ2N,O]­copper(II) and bis­[(R)‐3‐ethoxy‐N‐(1‐phenyl­ethyl)­salicyl­idene­aminato‐κ2N,O]copper(II)

The title compounds, [Cu(C₁₅H₁₂Cl₂NO)₂], (I), and [Cu(C₁₇­H₁₈NO₂)₂], (II), both adopt a compressed tetrahedral trans‐[CuN₂O₂] coordination geometry, the mol­ecules having an umbrella conformation overall. These complexes differ from one another with respect to the 1‐phenyl­ethyl­amine moieties, the direction of the benzene rings being either inside [in (I)] or inside and outside [in (II)] of the mol­ecules. The crystals of (I) and (II) have Δ(R,R) and Λ(R,R) absolute configurations, respectively.     

Diaquabis(1,3‐propanediamine‐κ2N,N′)nickel(II) bis(sulfanilate)

The title compound, [Ni(C₃H₁₀N₂)₂(H₂O)₂](C₆H₆NO₃S)₂, contains alternating layers of sulfanilate anions and di­aqua­bis(1,3‐propane­di­amine)­nickel(II) cations. The Ni atom lies on an inversion centre and is hexacoordinated by the 1,3‐propane­di­amine ligands, which function as N,N′‐bidentate ligands, and the water mol­ecules, which are in a trans arrangement. The sulfanilate anions are arranged in layers, with the sulfonate and amine groups directed towards opposite sides of the layer. The structure is stabilized by a network of hydrogen bonding between the O and N atoms of the sulfanilate anions, the water mol­ecules, and the N atoms of the 1,3‐propane­di­amine ligands.     

(2,9‐Dimethyl‐1,10‐phenanthroline‐κ2N,N′)(pyridine‐2,6‐dicarboxylato‐κ3O2,N,O6)copper(II) trihydrate

The copper(II) centre in the mononuclear title complex, [Cu(C₇H₃NO₄)(C₁₄H₁₂N₂)]·3H₂O, is surrounded by one bidentate 2,9‐dimethyl‐1,10‐phenanthroline (dmphen) ligand and one tridentate pyridine‐2,6‐dicarboxylate ligand, and exhibits a distorted square‐pyramidal geometry. The crystal packing involves both hydrogen‐bonding and π–π inter­actions. The solvent water mol­ecules link monomers to one another through hydrogen‐bonding inter­actions, forming ladder‐like chains in the bc plane. Face‐to‐face and slipped π–π inter­actions also occur between dmphen rings of neighboring mol­ecules and are responsible for inter­chain packing.     

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.     

Bis(μ‐diphenyl­phosphinato‐κ2O:O′)bis­[aqua­(diphenyl­phosphinato‐κO)bis­(pyridine‐κN)cobalt(II)]

In the centrosymmetric title compound, [Co₂(C₁₂H₁₀O₂P)₄(C₅H₅N)₄(H₂O)₂], each approximately octa­hedral Co atom features two trans‐coordinated pyridine mol­ecules, one water mol­ecule, a terminally coordinated monodentate diphenyl­phosphinate ligand, and two bidentate diphenyl­phosphinate ligands that bridge the two Co atoms across a centre of inversion to form a dimeric binuclear complex. The discrete mol­ecules are linked by double hydrogen bonds between the terminally coordinated diphenyl­phosphinate ligand and the water mol­ecule to form a continuous chain along the crystallographic b axis.     

2′‐(4‐Fluoro­phenyl)‐[1,2,3]­triazolo[4′,5′:16,17]­androst‐5‐en‐3β‐ol methanol hemisolvate

The asymmetric unit of the title compound, C₂₅H₃₀FN₃O·0.5CH₃OH, contains four symmetry‐independent steroid and two methanol mol­ecules. The conformations of the independent steroid mol­ecules are very similar. Intermolecular O—H⋯O hydrogen bonds create two independent chains, each of which links two of the independent steroid mol­ecules plus one methanol mol­ecule via a co‐operative O—H⋯O—H⋯O—H pattern. Intermolecular C—H⋯O and C—H⋯F interactions are also observed.     

Ethyl N‐[2‐(hydroxy­acetyl)­phenyl]­carbamate,ethyl N‐[2‐(hydroxy­acetyl)‐4‐iodo­phenyl]­carbamate and ethyl N‐[2‐(hydroxy­acetyl)‐4‐methyl­phenyl]­carbamate

In ethyl N‐[2‐(hydroxy­acetyl)phenyl]carbamate, C₁₁H₁₃NO₄, all of the non‐H atoms lie on a mirror plane in the space group Pnma; the mol­ecules are linked into simple chains by a single C—H⋯O hydrogen bond. The mol­ecules of ethyl N‐[2‐(hydroxy­acetyl)‐4‐iodo­phenyl]carbamate, C₁₁H₁₂INO₄, are linked into sheets by a combination of O—H⋯I and C—H⋯O hydrogen bonds and a dipolar I⋯O contact. Ethyl N‐­[2‐(hydroxy­acetyl)‐4‐methyl­phenyl]carbamate, C₁₂H₁₅NO₄, crystallizes with Z′ = 2 in the space group P; pairs of mol­ecules are weakly linked by an O—H⋯O hydrogen bond and these aggregates are linked into chains by two independent aromatic π–π stacking inter­actions.     

trans‐(2‐Acetylpyridine‐κ2N,O)dichlorobis(dimethyl sulfoxide‐κS)ruthenium(II)

In the title complex, [RuCl₂(C₇H₇NO)(C₂H₆OS)₂], the metal ion is at the centre of a distorted octahedral NOCl₂S₂ coordination sphere. The neutral 2‐acetyl­pyridine ligand binds to the metal ion through the pyridine N and carbonyl O atoms, forming a five‐membered chelate ring. The monodentate S‐coordinating di­methyl sulfoxide mol­ecules are mutually cis, and the two remaining positions in the coordination sphere are occupied by two mutually trans Cl^? ions.     

tert‐Butyl (3S,6R,9R)‐(5‐oxo‐3‐{[1(R)‐phenyl­ethyl]­carbamoyl}‐1,2,3,5,6,7,8,8a‐octa­hydro­indolizin‐6‐yl)­carbamate monohydrate at 95 K

The asymmetric unit of the title compound, C₂₂H₃₁N₃O₄·H₂O, incorporates one water mol­ecule, which is hydrogen bonded to the 3‐oxo O atom of the indolizidinone system. The two rings of the peptidomimetic mol­ecule are trans‐fused, with the six‐membered ring having a slightly distorted half‐chair conformation and the five‐membered ring having a perfect envelope conformation. The structure is stabilized by intermolecular O—H?O interactions between the water and adjacent peptide mol­ecules, and by N—H?O interactions between the peptide mol­ecules, which link the mol­ecules into infinite chains.     

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.     

4‐[(2‐Chloro­phenyl)­diazenyl]‐6‐methoxy‐2‐{[tris­(hydroxy­methyl)­methyl]­amino­methyl­ene}cyclo­hexa‐3,5‐dien‐1(2H)‐one

The structure of the title compound, C₁₈H₂₀ClN₃O₅, displays the characteristic features of azo­benzene derivatives. Intramolecular N—H⋯O, weak intramolecular C—H⋯O, and intermolecular O—H⋯O and C—H⋯O interactions influence the conformation of the mol­ecules and the crystal packing. Intermolecular hydrogen bonds link the mol­ecules into infinite chains, and the title compound adopts the keto–amine tautomeric form. The azo­benzene moiety of the mol­ecule has a trans configuration. The mol­ecule is not planar, and the dihedral angle between the two phenyl rings is 35.6 (2)°.     

Bis(acesulfamato‐κO4)diaqua­bis­(3‐methyl­pyridine‐κN)nickel(II)

In the crystal structure of the title compound [systematic name: diaqua­bis(6‐methyl‐2,2‐dioxo‐1,2,3‐oxathia­zin‐4‐olato‐κO⁴)bis­(3‐methyl­pyridine‐κN)nickel(II)], [Ni(C₄H₄NO₄S)₂(C₆H₇N)₂(H₂O)₂], the Ni^II centre resides on a centre of symmetry and has a distorted octa­hedral geometry. The basal plane is formed by two carbonyl O atoms of two monodentate trans‐oriented acesulfamate ligands and two trans aqua ligands. The axial positions in the octa­hedron are occupied by two N atoms of two trans pyridine ligands. Mol­ecules are stacked in columns running along the a axis. There are π–π stacking inter­actions between the mol­ecules in each column, with a distance of 3.623 (2) Å between the centroids of the pyridine rings. There are also O—H⋯O inter­actions between the columns.     

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.     

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.     

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.     

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.