trans‐Di­chloro‐cis‐bis(3,6‐di­methyl­carbazolyl)‐cis‐bis­(tetra­hydro­furan)­zirconium(IV) benzene sesquisolvate

In the title compound, [ZrCl₂(C₁₄H₁₂N)₂(C₄H₈O)₂]·1.5C₆H₆, the Zr atom is pseudo‐octahedral, with two Cl atoms in trans positions and two tetra­hydro­furan mol­ecules in cis positions. The two 3,6‐di­methyl­carbazolyl ligands are in cis positions and are canted with respect to one another. The two Zr—N distances are 2.1148 (18) and 2.1236 (18) Å, and the N—Zr—N angle is 95.08 (7)°. The title compound crystallizes as the benzene solvate, with one of the benzene mol­ecules positioned on an inversion center.     

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.     

Tetraaqua­bis[2‐(4‐pyridyl)ethanesul­fonato‐N]­zinc(II)

The title compound, [Zn(C₇H₈NO₃S)₂(H₂O)₄], has an octahedral coordination around the central Zn atom composed of two axial N atoms from the pyridine ligands and four equatorial O atoms of water mol­ecules, forming a monomeric centrosymmetric complex. The two Zn—N bond distances are 2.102 (3) Å, while the four Zn—O bond distances range from 2.114 (2) to 2.167 (2) Å. Packing is determined by hydrogen bonds formed by the water mol­ecules. The sulfonate group does not take part in coordination to the Zn atom.     

Aqua­bis(2‐nitro­benzoato‐κO)(1,10‐phenanthroline‐κ2N,N′)­zinc(II)

The title compound, [Zn(C₇H₄NO₄)₂(C₁₂H₈N₂)(H₂O)], has been synthesized. X‐Ray analysis reveals that it is a neutral zinc(II) mononuclear carboxyl­ate complex based on mixed N‐ and O‐donor ligands. The Zn atom is five‐coordinate in a distorted trigonal–bipyramidal coordination environment involving two O atoms of two monodentate 2‐nitro­benzoate mol­ecules, two N atoms of a 1,10‐phenanthroline mol­ecule and one O atom of a water mol­ecule. The axial positions are occupied by a carboxyl­ate O atom from the 2‐nitro­benzoate ligand and an N atom from the 1,10‐phenanthroline ligand [N—Zn—O = 167.66 (9)°].     

Di‐μ‐phenyl­thio‐bis­[bis(η5‐methyl­cyclo­penta­dienyl)(tetra­hydro­furan)lanthanum(III)] bis­(tetra­hydro­furan) solvate

The title complex, [La₂(C₆H₇)₄(C₆H₅S)₂(C₄H₈O)₂]·2C₄H₈O, is a centrosymmetric dimer bridged through the S atoms of the benzene­thiolate ligands. The bridging La₂S₂ unit is completely planar, while the geometry around the nine‐coordinate La atom is that of a distorted trigonal bipyramid. The La—S—La and S—La—S angles are 117.51 (4) and 62.5 (1)°, respectively, and the average La—S bond length is 2.9759 Å. The crystals contain two tetra­hydro­furan solvate mol­ecules for every complex mol­ecule.     

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.     

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.     

Triaquatris(2,6‐dinitrophenolato‐κ2O1,O2)yttrium(III)

In the title compound, [Y(C₆H₃N₂O₅)₃(H₂O)₃], the Y atom is nine‐coordinate with a slightly distorted tricapped trigonal prismatic coordination geometry. The Y^III ion is coordinated to three bidentate 2,6‐di­nitro­phenolate ligands and three water mol­ecules. The Y—O bond distances are in the range 2.217 (3)–2.754 (4) Å, with the Y—O distances from the nitro groups being longer than those from the water mol­ecules and the phenol groups. The coordinated NO₂ groups are almost coplanar with the benzene rings.     

Decamethyl­ferrocenium bis­(2‐oxo‐1,3‐dithiole‐4,5‐dithiolato‐κ2S4,S5)nickelate(III) tetra­hydro­furan solvate

The title compound, [Fe(C₁₀H₁₅)₂][Ni(C₃OS₄)₂]·C₄H₈O or [Fe(Cp*)₂][Ni(dmio)₂]·THF, where [Fe(Cp*)₂]⁺ is the deca­methyl­ferrocenium cation, dmio is the 2‐oxo‐1,3‐dithiole‐4,5‐dithiol­ate dianion and THF is tetra­hydro­furan, crystallizes with two independent half‐anion units [one Ni atom is at the centre of symmetry (, , 0) and the other is at the centre of symmetry (, 0, )], one cation unit (located in a general position) and one THF solvent mol­ecule in the asymmetric unit. The crystal structure consists of two‐dimensional layers composed of parallel mixed chains, where pairs of cations alternate with single anions. These layers are separated by sheets of anions and THF mol­ecules.     

Iodo­(picolinato‐κ2N,O)(picolinic acid‐κ2N,O)mercury(II)

The title compound, [Hg(C₆H₄NO₂)I(C₆H₅NO₂)], has twofold symmetry along the Hg—I bond. The Hg^II ion coordinates one I atom [at 2.6045 (4) Å], two N and two O atoms [at 2.298 (3) and 2.481 (2) Å] from one picolinate ion, and one picolinic acid mol­ecule in a very irregular trigonal–bipyramidal coordination. The single hydr­oxy H atom required for chemical neutrality is both statistically (by crystal symmetry) and structurally disordered, and is involved in an inter­molecular O—H⋯O hydrogen bond [O⋯O = 2.455 (4) Å], connecting the mol­ecules into one‐dimensional infinite chains along the [101] direction.     

Diaqua­bis[5‐(pyrazin‐2‐yl‐κN1)‐1H‐tetra­zolato‐κN1]manganese(II) and diaqua­bis[5‐(pyrazin‐2‐yl‐κN1)‐1H‐tetra­zolato‐κN1]zinc(II)

The two new title complexes, [Mn(C₅H₃N₆)₂(H₂O)₂] and [Zn(C₅H₃N₆)₂(H₂O)₂], are isomorphous. In both compounds, the metal atom is located on an inversion center and is coordinated by four N atoms from two 5‐(pyrazin‐2‐yl)‐1H‐tetra­zolate anions in the basal plane and by two O atoms of water ligands in the apical positions to form a distorted octa­hedral geometry. Inter­molecular hydrogen‐bond inter­actions between the uncoordinated N atoms of the tetra­zolate anions and the H atoms of the water mol­ecules lead to the formation of a three‐dimensional network.     

Di­aqua­bis­[μ‐(R,R)‐tartrato‐κ4O1,O2:O3,O4]­dinickel(II) trihydrate

In the crystal structure of the title compound, [Ni₂(C₄H₄O₆)₂(H₂O)₂]·3H₂O, two nickel cations, two tartrate anions and two water mol­ecules form the dimeric complex. Each nickel cation is in a distorted octahedral environment composed of four O atoms of two crystallographically independent tartrate anions, one water mol­ecule and one O atom of a symmetry‐equivalent tartrate anion. The asymmetric unit contains three additional water mol­ecules which are connected via hydrogen bonding.     

rac‐(Z)‐Ethyl 2‐bromo‐2‐[(3R,5R)‐3‐bromo‐5‐methyl­tetra­hydro­furan‐2‐yl­idene]acetate

In the title compound, C₉H₁₂Br₂O₃, a (tetra­hydro­furan‐2‐yl­idene)acetate, the double bond has the Z form. In the tetra­hydro­furan group, the relative configuration of the Br atom in the 3‐position and the methyl group in the 5‐position is anti. The compound crystallizes with two independent mol­ecules per asymmetric unit and, in the crystal structure, the individual mol­ecules are linked to their symmetry‐equivalent mol­ecules by C—H⋯O hydrogen bonds, so forming centrosymmetric hydrogen‐bonded dimers.     

Bis(μ‐3‐nitrobenzene‐1,2‐dicarboxyl­ato)‐κ8O1,O2:O2,O3;O3,O2:O2,O1‐bis­[triaqua­(2‐carboxy‐3‐nitro­benzoato‐κ2O,O′)lanthanum(III)] dihydrate

The title compound, [La₂(C₈H₃NO₆)₂(C₈H₄NO₆)₂(H₂O)₆]·2H₂O, consists of dimeric units related by an inversion center. The two La^III atoms are linked by two bridging bidentate carboxyl­ate groups and two monodentate carboxyl­ate groups. Each La^III atom is nine‐coordinated by six O atoms from five different carboxyl­ate groups and three from water mol­ecules. Hydrogen bonds between the water mol­ecules and between the solvent water and a carboxyl­ate O atom are observed in the structure. In the crystal packing, there are slipped π–π stacking inter­actions between the parallel benzene rings. Both hydrogen‐bonding and π–π inter­actions combine to stabilize the three‐dimensional supra­molecular network.     

(2‐Methyl­quinolin‐8‐olato)­iron(III) and ‐copper(II) complexes

The crystal structures of tris(2‐methyl­quinolin‐8‐olato‐N,O)­iron(III), [Fe­(C₁₀­H₈­NO)₃], (I), and aqua­bis(2‐methyl­quinolin‐8‐olato‐N,O)­copper(II), [Cu­(C₁₀­H₈NO)₂­(H₂O)], (II), have been determined. Compound (I) has a distorted octahedral configuration, in which the central Fe atom is coordinated by three N atoms and three O atoms from three 2‐methylquinolin‐8‐olate ligands. The three Fe—O bond distances are in the range 1.934 (2)–1.947 (2) Å, while the three Fe—N bond distances range from 2.204 (2) to 2.405 (2) Å. In compound (II), the central Cu^II atom and H₂O group lie on the crystallographic twofold axis and the coordination geometry of the Cu^II atom is close to trigonal bipyramidal, with the three O atoms in the basal plane and the two N atoms in apical positions. The Cu—N bond length is 2.018 (5) Å. The Cu—O bond length in the basal positions is 1.991 (4) Å, while the Cu—O bond length in the apical position is 2.273 (6) Å. There is an intermolecular OW—H?O hydrogen bond which links the mol­ecules into a linear chain along the b axis.     

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.     

Tri‐μ2‐chloro‐tetra­chloro‐μ3‐oxo‐hexakis­(tetra­hydro­furan‐κO)­dititanium(III)­samarium(III): a novel trinuclear Sm–Ti mixed species

In the title compound, [SmTi₂Cl₇O(C₄H₈O)₆], the metal ions are linked by a central μ₃‐oxo ion and by three μ₂‐chloro ions, giving a planar moiety containing a binary crystallographic axis. The coordination spheres are completed by terminal chloro ligands and tetra­hydro­furan mol­ecules, with resulting pentagonal bipyramidal and octahedral environments for the Sm and Ti atoms, respectively.     

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.     

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.     

cis‐Bis­[1,3‐bis(2‐fluoro­phenyl)­triazenido‐κ2N1,N3]­bis­(pyridine‐κN)cadmium(II)

In the title compound, [Cd(C₁₂H₈F₂N₃)₂(C₅H₅N)₂], the Cd atom lies on a crystallographic twofold axis in space group Iba2. The coordination geometry about the Cd^II ion corresponds to a rhombically distorted octahedron, with two deprotonated 1,3‐bis(2‐fluoro­phenyl)­triazenide ions, viz. FC₆H₄NNNC₆H₄F⁻, acting as bidentate ligands (four‐electron donors). Two neutral pyridine (py) mol­ecules complete the coordination sphere in positions cis with respect to one another. The triazenide ligand is not planar (r.m.s. deviation = 0.204 Å), the dihedral angle between the phenyl rings of the terminal 2‐fluoro­phenyl substituents being 24.6 (1)°. The triazenide and pyridine Cd—N distances are 2.3757 (18)/2.3800 (19) and 2.3461 (19) Å, respectively. Intermolecular C—H⋯F interactions generate sheets of mol­ecules in the (010) plane.