Search results for "Crown"

ChemInform Abstract: Crown Ether Substituted 1,4-Distyrylbenzenes and Their Complexation with Alkali Picrates.

2000

Synthesis, Structures and DFT Calculations on Alkaline-Earth Metal Azide-Crown Ether Complexes

2008

The first examples of azide complexes of calcium, strontium or barium with crown ethers have been prepared and fully characterised, notably [Ba([18]crown-6)(N3)2(MeOH)], [Sr([15]crown-5)(N3)2(H2O)], [Ca([15]crown-5)(N3)2(H2O)] and [Sr([15]crown-5)(N3(NO3)]. Crystal structures reveal the presence of a variety of coordination modes for the azide groups including kappa 1-, mu-1,3- and linkages via H-bonded water molecules, in addition to azide ions. The [Ba([18]crown-6)(N3)2(MeOH)].1/3 MeOH contains dinuclear cations with three mu-1,3-NNN bridges, the first example of this type in main group chemistry. The structures obtained have been compared with molecular structures computed by density fun…

Synthesis of a New pH-Dependent Ligand: Conformational and Complexation Studies

2003

A new macrocyclic ligand, 3, which exhibits pH-induced conformational changes, has been prepared. This ligand consists of a crown ether derived from a trans-anti-trans 1,2,4,5-tetrasubstituted cyclohexane. Due to the stereochemistry of the substituents on the carbocyclic ring, two different low-energy conformations of the crown ether are possible. Ligand 3 has been studied in solution by 1H NMR spectroscopy at different values of pH and temperature, showing that the conformation of the crown ether, and thus its complexing ability, is strongly pH-dependent. The solid-state structure of the ligand has been determined by X-ray diffraction.

Computational Study of Nanosized Drug Delivery from Cyclodextrins, Crown Ethers and Hyaluronan in Pharmaceutical Formulations

2015

Abstract The problem in this work is the computational characterization of cyclodextrins, crown ethers and hyaluronan (HA) as hosts of inclusion complexes for nanosized drug delivery vehicles in pharmaceutical formulations. The difficulty is addressed through a computational study of some thermodynamic, geometric and topological properties of the hosts. The calculated properties of oligosaccharides of D-glucopyranoses allow these to act as co-solvents of polyanions in water. In crown ethers, the central channel is computed. Mucoadhesive polymer HA in formulations releases drugs in mucosas. Geometric, topological and fractal analyses are carried out with code TOPO. Reference calculations are…

pH-Dependent ligands as carriers in transport experiments

2004

Abstract Conformationally pH-regulated ligands have been used as carriers in transport experiments. The experiments were carried out through bulky membranes and the pH at the source phase and at the receiving phase were modified to study the ability of ligands to act as pH-regulated carriers. The influence of pH on transport efficiency seems to be related to its influence on conformational equilibrium. X-ray determination of one precursor compound has been useful for determining the stereochemistry of one of the carriers. To cite this article: A.M. Costero et al., C. R. Chimie 7 (2004).

A neutral 2D oxalate-based soluble magnet assembled by hydrogen bonding interactions

2008

Abstract Herein we describe the synthesis, structure and magnetic properties of a novel oxalate-based layered magnetic system: {[Mn(OH2)2(S)2][Mn(S)(OH2)]2[Cr(ox)3]2(18-crown-6)}∞ (S = CH3OH; ox = C 2 O 4 2 - ; 18-crown-6 = C12H24O6) (1). In this case, no cationic templating agent is required to promote the assembling of low-dimensional oxalate-bridged metallic complexes in solution. Instead, strong enough hydrogen bonding interactions are responsible for their packing in the solid state. This magnet is soluble and presents two different types of oxalate bridges: the common bis(bidentate) and the unusual bidentate–monodentate. This structural feature has drastic consequences on the magnetis…

Synthesis of a Fullerene Derivative of Benzo[18]crown-6 byDiels-Alder Reaction: Complexation Ability, Amphiphilic Properties, and X-Ray Crystal Struc…

1993

A fullerene derivative 1 of benzo[18]crown-6 was obtained by Diels-Alder addition of fullerene[60](C60) to the ortho-quinodimethane prepared in situ from 4,5-bis(bromomethyl)benzo[18]crown-6 (3) with Bu4NI in toluene. Extraction experiments show that the complexation of K+ ions strongly increases the solubility of 1 in protic solvents like MeOH. Using Langmuir-Blodgett techniques, monolayers of the highly amphiphilic fullerene-derived crown ether 1 and its K+ ion complex were prepared. An X-ray crystal structure was obtained from a benzene clathrate of comparison compound 2, synthesized by Diels-Alder reaction of C60 with the ortho-quinodimethane derived from 1,2-bis(bromomethyl)-4,5-dimeth…

2-(Mesitylmethylsulfanyl)pyridineN-oxide–18-crown-6 (2/1)

2008

In the title compound, 2C(15)H(17)NOS·C(12)H(24)O(6), the asymmetric unit consists of one N-oxide derivative and one-half of the 18-crown-6 ether, which lies on an inversion centre. In the crown ether, the O-C-C-O torsion angles indicate a gauche conformation of the ethyl-eneoxy units, while the C-O-C-C torsion angles indicate planarity of these segments. In the N-oxide unit, the dihedral angle between the pyridine and benzene rings is 85.88 (12)°. The crystal packing is stabilized by weak C-H⋯O hydrogen bonds and C-H⋯π inter-actions.

Unexpected Structural Diversity in Alkali Metal Azide-Crown Ether Complexes: Syntheses, X-ray Structures, and Quantum-Chemical Calculations

2005

A series of alkali metal azide-crown ether complexes, [Li([12]crown-4)(N-3)], [Na([15]crown-5)(N-3)], [Na([15]crown-5)(H2O)(2)]N-3, [K([18]crown-6)(N-3)(H2O)], [Rb([18]crown-6)(N-3)(H2O)], [Cs([18]crown-6)(N-3)](2), and [Cs([18]crown-6)(N-3)(H2O)(MeOH)], has been synthesised. In most cases, single crystals were obtained, which allowed X-ray crystal structures to be derived. The structures obtained have been compared with molecular structures computed by density functional theory (DFT) calculations. This has allowed the effects of the crystal lattice on the structures to be investigated. Also, a study of the M-N-terminal metalazide bond length and charge densities on the metal (M) and termin…

Triple associates based on (oxime)Pt(II) species, 18-crown-6, and water: Synthesis, structural characterization, and DFT study

2014

Abstract The associates 2(cis-[PtCl2(acetoxime)2])⋅18-crown-6⋅2H2O (1), 2(cis-[PtBr2(acetoxime)2])⋅18-crown-6⋅2H2O (2), and trans-[PtCl2(acetaldoxime)2]⋅(18-crown-6)⋅2H2O (3) were synthesized by co-crystallization of free corresponding platinum species and 18-crown-6 from wet solvents and characterized by 1H NMR and IR spectroscopies, high-resolution mass-spectrometry (ESI), TG/DTA, and X-ray crystallography. The (oxime)Pt(II) species are assembled with 18-crown-6 and water by hydrogen bonding between the hydroxylic hydrogen atoms of the oxime ligands and the oxygen atom of water and between the hydrogen atoms of water and the oxygen atoms of 18-crown-6. In 2(cis-[PtX2(acetoxime)2])⋅18-crow…