Search results for "Single"

Structural diversity of cyanide-bridged bimetallic clusters based on hexacyanometallate building blocks

2002

Abstract Four new cyanide-bridged bimetallic complexes, with different geometries and nuclearities, have been synthesized and characterized by single crystal X-ray crystallography. The trinuclear compound {〚Zn(bpy)2(OH2)〛2〚Fe(CN)6〛}Cl (1)·2 MeOH·12 H2O crystallizes in the triclinic space group P 1 , with a = 12.010(2) A, b = 16.316(3) A, c = 16.325(3) A, α = 97.47(3)°, β = 92.14(3)°, γ = 92.43(3)°, V = 3166(1) A3 and Z = 4. The tetranuclear compound {〚Zn(phen)2〛2〚Fe(CN)6〛2}2– (2) cocrystallizes with 〚Zn(bpy)3〛2+ and 32 H2O molecules in the monoclinic space group C2/c with a = 42.047(8) A, b = 13.541(2) A, c = 28.781(5) A, β = 120.23(3)°, V = 14158(4) A3 and Z = 2. The pentanuclear compound …

Head-to-tail connected double calix[4]arenes

1997

New macrotricyclic compounds consisting of two calix[4]arene substructures connected by aliphatic chains of various length (three to five carbon atoms) between two oppositep-positions and two distal phenolic oxygens have been synthesized. Starting withp-tert-butyl-calix[4]arene, two O-protected phenolic units are attachedvia ether links in 1,3-position by reaction with the corresponding tosylates. After deprotection, the new calix[4]arene is formed by fragment condensation with 2,6-bisbromomethylated 4-alkylphenols. The structure of one example (8c) has been confirmed by single crystal X-ray analysis. Both calixarene parts assume the cone conformation, a molecule of acetonitrile being inclu…

Reversible Dimerization of Tetraureas Derived from Calix[4]Arenes

1999

Calix[4]arene derivatives, substituted at the wider rim by four urea functions are easily available in great variety. In apolar solvents like benzene or chloroform they dimerize via NH…O=C hydrogen bonds encapsulating a single solvent molecule as guest. The exclusive formation of dimers has been proved in solution by NMR, while their shape has been characterized by single crystal X-ray analysis. The kinetic stability and the rate of the guest exchange have been studied by NOESY experiments using a derivative with lower symmetry.

N-[2-(2,2-Di­methyl­propanamido)­pyrimidin-4-yl]-2,2-di­methyl­propanamide n-hexane 0.25-solvate hemihydrate

2013

The asymmetric unit of the title compound, C14H22N4O2·0.25C6H14·0.5H2O, contains two independent molecules of 2,4-bis(pivaloylamino)pyrimidine (M) with similar conformations, one water molecule and one-halfn-hexane solvent molecule situated on an inversion center. In one independentMmolecule, one of the twotert-butyl groups is rotationally disordered between two orientations in a 3:2 ratio. Then-hexane solvent molecule is disordered between two conformations in the same ratio. The water molecule bridges two independentMmoleculesviaO—H...O, N—H...O and O—H...N hydrogen bonds into a 2M·H2O unit, and these units are further linked by N—H...N hydrogen bonds into chains running in the [010] dire…

Cobalt(II)-Copper(II) Bimetallic Chains as a New Class of Single-Chain Magnets

2004

Structural phase transition to disorder low-temperature phase in [Fe(ptz)6](BF4)2 spin-crossover compounds.

2012

In the spin-crossover compound [Fe(ptz)6](BF4)2 (where ptz=1-n-propyltetrazole) six different phases are observed. When a single crystal is slowly cooled from high temperatures to those below 125 K, the reflections broaden into diffuse maxima and split into two maxima along the c* direction [Kusz, Gütlich & Spiering (2004). Top. Curr. Chem. 234, 129–153]. As both maxima are broad along the c* direction, the short-range order exists only along the c direction and in the ab plane the structure remains long-range ordered. In this disordered phase additional satellite reflections appear. Upon heating above 135 K, the diffuse maxima return to their previous shape and this process is complete…

Contribution of X-Ray diffraction to the study of spin transitions in some iron (II) complexes

1991

Abstract A review of recent single crystal investigations under constraint of iron (II) spin crossover complexes is given. The systems covered are Fe L2 (NCS)2 complexes (L = Phen, Btz) and some analogous derivatives. Emphasis is laid on the correlations between structural changes associated with spin transitions and the experimentally determined characteristics of these transitions.

X-ray structure study of the light-induced metastable states of the spin-crossover compound [Fe(mtz)6](BF4)2

2001

Iron(II) complexes exhibiting thermal spin-crossover may be converted from the1A1low-spin (LS) state to the5T2high-spin (HS) state by irradiation with green light (light-induced excited spin-state trapping, LIESST) and from the LS to the HS state by irradiation with red light (reverse LIESST). The lifetime of the metastable LIESST states may be sufficiently long to enable an X-ray diffraction study. The lattice parameters of a single crystal of [Fe(mtz)6](BF4)2(mtz = methyltetrazole) (space groupP21/n) were measured between 300 and 10 K. While one Fe lattice site (A) of the crystal changes from the HS to the LS state near 78 K, the other site (B) remains in the LS state. Using the green lig…

A trigonal-bipyramidal cyanide cluster with single-molecule-magnet behavior: synthesis, structure, and magnetic properties of ([MnII(tmphen)2]3[MnIII…

2003

Dimeric capsules of tetraurea calix[4]arenes. MD simulations and X-ray structure, a comparison

2002

The single crystal X-ray structure of a homodimer of a tetra(tolylurea) calix[4]arene including a tetraethylammonium cation as guest shows an expansion of the capsule and a distortion of its shape, in comparison to the structure of a similar dimer with an encapsulated benzene molecule. Thus, only 8 of 16 possible hydrogen bonds are present in the hydrogen bonded belt holding together the two hemispheres. The encapsulated cation is disordered over two equivalent positions with two methyl groups pointing to the equator, while two methyl groups pointing to the poles form CH–π interactions with the inner surfaces of the calixarene cavities. MD simulations are in agreement with the distorted X-r…