Rubidium bis­(tri­fluoro­methane­sulfonyl)­imidate dioxane disolvate

The bis­(tri­fluoro­methane­sulfonyl)­imidate anion crystallizes with Rb as the title dioxane 1:2 solvate, Rb⁺·CF₃SO₂NSO₂CF₃⁻·2C₄H₈O₂, with the anion in a transoid conformation, as opposed to the cisoid form typically seen when there are significant cation–anion interactions. The Rb^I cation is eight‐coordinate, interacting with one anion in a chelating fashion and with two other anions through the remaining sulfonyl O atoms. The latter interactions link ion pairs through the formation of Rb₂O₂ dimers about inversion centers at (0, , 0) and (, , 0), forming extended columns which run parallel to the a axis of the unit cell. Rb–dioxane bridges crosslink these salt columns in the (010), (001) and (011) directions, resulting in a three‐dimensional network solid. One dioxane solvent mol­ecule is disordered over two half‐occupancy sites.     

Bis­(iso­propyl­amino)­methyl­carbenium tetrakis­(penta­fluoro­phenyl)­gallate

The title compound, [MeC(NHⁱPr)₂][Ga(C₆F₅)₄] crystallizes as discrete ions forming interionic hydrogen bonds of the type N—H?F.     

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.     

Aqua­bis­(crotonato)­bis­(pyridine)­copper(II)

The title compound, [Cu(O₂CCH=CHCH₃)₂(C₅H₅N)₂(H₂O)], crystallizes as a monomer, with the copper ion in a pentacoordinated square‐pyramidal environment, bisected by a twofold axis passing through the metal atom and the apex. The mol­ecules organise in chains connected by hydrogen bonds running along the unique b axis.     

trans‐Chloro­(methyl)­bis­(tri­cyclo­hexyl­phosphine)­platinum(II)

The crystal structure of the title compound, [PtCl(CH₃)(C₁₈H₃₃P)₂], is isostructural with various platinum(II) and palladium(II) complexes containing two bulky tri­cyclo­hexyl­phosphine ligands in a trans orientation. The Pt atom resides on an inversion centre, resulting in a 50% statistical disorder in the chloro and methyl positions. The most significant geometrical parameters are Pt—P 2.3431 (8), Pt—­Cl 2.440 (4) and Pt—C1 2.179 (13) Å, and P—Pt—P 180, P—Pt—Cl 89.15 (12) and 90.85 (12), and C—Pt—Cl 172.7 (5)°. The effective and Tolman cone angles for the tricyclohexylphosphine ligands were calculated as 160 and 162°, respectively.     

High‐temperature phase of trans‐tetra­aqua­bis­(tri­fluoro­acetato‐O)­manganese(II)

The title compound, [Mn(CF₃COO)₂(H₂O)₄], crystallizes in the monoclinic space group C2/c. At about 215 K, it undergoes a reversible phase transition, which leads to crystal twinning. The crystal structure of the high‐temperature phase was determined at 220 K. The Mn²⁺ ion lies on a twofold axis and is octahedrally coordinated by two monodentate tri­fluoro­acetate ligands in apical positions and by four equatorial aqua ligands, two of which lie on the twofold axis. Hydro­gen‐bonding interactions connect the complex mol­ecules, generating a three–dimensional network.     

Diacetatobis­(tri­methyl­ene­thio­urea)­zinc(II) monohydrate

In the title compound, [Zn(CH₃COO)₂(C₄H₈N₂S)₂]·H₂O, the Zn atom is tetrahedrally coordinated in the ZnO₂S₂ form. N—H?O and O—H?O intramolecular and intermolecular hydrogen bonds are formed by the four N atoms and the water mol­ecule. N—H?O intermolecular hydrogen bonds and C—H?S and C—H?O intermolecular interactions interconnect columns formed by the mol­ecules into layers. Adjacent layers are then linked by other N—H?O and O—H?O intermolecular hydrogen bonds to form a three‐dimensional framework throughout the structure. The orientations of the acetate planes are such that the Zn atom lies within them.     

[5,10,15,20‐Tetrakis­(penta­fluoro­phenyl)­porphyrinato]­iron(II) benzene disolvate

The title compound, [Fe(C₄₄H₈F₂₀N₄)]·2C₆H₆, contains a four‐coordinated Fe^II atom, which lies on a center of symmetry. The porphyrin macrocycle is planar, and the Fe—N bond distances are in the range 1.9891 (13)–1.9982 (13) Å. The spin state of the Fe^II atom is intermediate (S = 1), as confirmed by NMR spectroscopy. The asymmetric unit contains two half benzene mol­ecules, each lying about an independent inversion centre; one of the benzene rings is located just below (and by inversion symmetry, another is just above) the Fe atom, where it interacts weakly with the porphyrin ring.     

Chloro­bis­(tri­phenyl­phosphine)­nickel(I)

Crystals of the title compound, [NiCl(C₁₈H₁₅P)₂], contain one mol­ecule per asymmetric unit with no short intermolecular interactions. This is noteworthy since previous studies have reported that the formally 15‐electron species oligomerizes in the solid state. The nickel(I) centre has a distorted trigonal–planar coordination geometry, the origin of which is suggested to be electronic in nature.     

The trans influence in mer‐tri­chloro­nitridobis­(tri­phenyl­arsine)­ruthenium(VI)

The title compound, mer‐[RuCl₃N(C₁₈H₁₅As)₂], is the first structurally characterized example of a nitride complex in which ruthenium is six‐coordinated to monodentate ligands only. The Ru[triple‐bond]N bond length [1.6161 (15) Å] is relatively long, and the trans influence of the nitride ligand is reflected by the difference between the Ru—Cl_trans and Ru—Cl_cis bond lengths [0.1234 (4) Å]. The N—Ru—Cl_trans axis is sited on a twofold axis.     

Bis­(ethyl­enedi­amine‐N,N′)(pyrimidine‐2‐carboxyl­ato‐N1,O)­cobalt(III) bis­(tri­fluoro­methane­sulfonate) dihydrate

In the title compound, the coordination geometry of the Co^III atom is only slightly distorted from regular octahedral, and the racemic nature of the material was confirmed by X‐ray structure analysis.     

Aqua­bis­(benzo­nitrile)(o‐benzo­quin­one di­imine)(tri­phenyl­phosphine)­ruthenium(II) bis­(tetra­fluoro­borate) hydrate

The Ru atom in the title compound, [Ru(C₆H₅CN)₂{P(C₆H₅)₃}{C₆H₄(NH)₂}(H₂O)](BF₄)₂·H₂O, has six‐coordinate octahedral geometry, with a trans arrangement of the tri­phenyl­phosphine ligand and the water mol­ecule. The asymmetric unit contains one complex cation, two tetra­fluoro­borate anions and one solvent water mol­ecule, which is disordered over two sites (ratio of occupancies 0.70:0.30).     

The centrosymmetric dimer of di­chloro­(tri­methyl­siloxy)­aluminium

The title mol­ecule is dimeric, i.e. di‐μ‐tri­methyl­siloxy‐bis­(di­chloro­aluminium), [Al₂Cl₄(C₃H₉Si)₂], and possesses exact crystallographic inversion symmetry. The O atoms of the tri­methyl­siloxy groups bridge the two Al atoms to form a four‐membered ring. The Si—O bond distance [1.711 (3) Å], the Al—O mean bond distance [1.806 (4) Å] and the mean Si—C bond distance [1.875 (6) Å] appear to agree well with standard data. Mean values for C—Si—C, O—Si—C, and Si—O—Al angles are 112.9 (3), 105.8 (2), and 131.8 (2)° repectively. The two ring angles O—Al—O and Al—O—Al are 84.43 (16) and 95.57 (16)°, respectively.     

cis‐Di­chloro­(di­methyl­aminomethyl­ene)­(tri­phenyl­phosphine)palladium(II) acetone solvate

The synthesis and X‐ray structural analysis of the title compound, [PdCl₂(C₃H₇N)(C₁₈H₁₅P)]·C₃H₆O, are described. The crystal structure contains discrete monomeric mol­ecules of the carbene complex and solvent mol­ecules separated by normal van der Waals distances. The Pd atom is four‐coordinate in an essentially square‐planar environment, with the chlorine ligands mutually cis; Pd—P = 2.2495 (7), Pd—Cl = 2.3508 (7) and 2.3600 (7), Pd—C 1.948 (2) and N—C(carbene) 1.274 (3) Å.     

trans‐Di­chloro­bis­(tri­phenyl­phosphine‐P)­platinum(II)

Two different crystals (A and B) were used to structurally characterize trans‐[PtCl₂(PPh₃)₂] and to study random and systematic errors in derived parameters. The compound is isomorphous with trans‐[PdCl₂(PPh₃)₂] and with one of the polymorphs of trans‐[PtMeCl(PPh₃)₂] reported previously. Half‐normal probability plot analyses based on A and B show realistic s.u.'s and negligible systematic errors. R.m.s. calculations give very good agreement between A and B, 0.0088 Å. Important geometrical parameters are Pt—P = 2.3163 (11) Å, Pt—Cl = 2.2997 (11) Å, P—Pt—Cl = 87.88 (4) and 92.12 (4)°. Half‐normal probability plots and r.m.s. calculations were also used to compare the title compound with the palladium analogue, showing small systematic differences between the compounds. The torsion angles around the Pt—P bond were found to be very similar to those reported for isomorphous complexes, as well as to the torsion angles around the Pt—As bond in trans‐[PtCl₂(AsPh₃)₂]. The NMR coupling constants for the title compound are similar to Pt—P coupling constants reported for analogous trans complexes.     

1‐(4‐Chloro­phenyl­sulfanyl)‐2‐nitro‐4‐(tri­fluoro­methyl)­benzene and 1‐(4‐chloro­phenyl­sulfanyl)‐4‐nitro‐2‐(tri­fluoro­methyl)­benzene

Two chemical isomers of 3‐nitro­benzotrifluoride, namely 1‐(4‐chloro­phenyl­sulfanyl)‐2‐nitro‐4‐(tri­fluoro­methyl)­benzene, C₁₃H₇ClF₃NO₂S, (I), and 1‐(4‐chloro­phenyl­sulfanyl)‐4‐nitro‐2‐(tri­fluoro­methyl)­benzene, C₁₃H₇ClF₃NO₂S, (II), have been prepared and their crystal structures determined with the specific purpose of forming a cocrystal of the two. The two compounds display a similar conformation, with dihedral angles between the benzene rings of 83.1 (1) and 76.2 (1)°, respectively, but (I) packs in P while (II) packs in P2₁/c, with C—H⋯O interactions. No cocrystal could be formed, and it is suggested that the C—H⋯O associations in (II) prevent intermolecular mixing and promote phase separation.     

Chloro­bis­(tri­phenyl­phosphine)­nickel(I) tetra­hydro­furan solvate and an unsolvated trigonal phase of chloro­tris­(tri­phenyl­phosphine)­nickel(I)

In [NiCl(C₁₈H₁₅P)₂]·C₄H₈O, the Ni atom is coordinated by three ligands in a distorted trigonal–planar configuration, with a P—Ni—P angle of 111.52 (2)°. In [NiCl(C₁₈H₁₅P)₃], there are three independent mol­ecules in the asymmetric unit, with each Ni—Cl bond on a crystallographic threefold rotation axis. Each Ni centre is tetrahedrally bound. The Ni atoms in both compounds have a d⁹ configuration and a formal oxidation state of Ni^I. A comparison is made between the form of [NiCl(PPh₃)₃] presented here and that of a known toluene solvate.     

[4‐(Tri­fluoro­methyl)­phenyl]­aceto­nitrile

The crystal structure of the title compound, C₉H₆F₃N, at 123 K contains mol­ecules linked together via several C—H?F and C—H?N contacts, the strongest of which are 2.58 and 2.65 Å, respectively. Apparently, an F atom in the CF₃ group is able to compete with a cyano N atom for aromatic H atoms but is less prone to interact with the more acidic methyl­ene H atoms. The Ph–CH₂CN torsion angle is ?6.4 (2)° and the planar phenyl ring exhibits a typical deformation of the endo angles at the ipso‐C atoms, due to the difference in the electron‐withdrawing power of the CF₃ and CH₂CN substituents.     

N‐[1‐(Penta­fluoro­phenyl)­ethyl]­acetamide

The title compound, C₁₀H₈F₅NO, crystallizes as a racemate with four symmetry‐independent mol­ecules in the asymmetric unit. The four mol­ecules form two hydrogen‐bonded pairs. Each pair is a building unit of an independent C(4) chain propagating parallel to the ab plane.