Complexes of 18-crown-6 with alkali-metal cations (Na', K', and Rb'), urea, and the uncomplexed crown ether were studied in V ~ C U O with the molecular dynamics method. Conformational data from these calculations (simulation times in the range from 6-15 ns) was compared with information from the Cambridge Structural Database. Despite the differences in condition between the simulations and the...

The reaction of 4-fluoro-aniline hydro-chloride, 18-crown-6 and ferric chloride in methano-lic solution yields the title compound, (C(6)H(7)FN)[FeCl(4)]·C(12)H(24)O(6), which has an unusual supramolecular structure. N-H⋯O hydrogen-bonding inter-actions between the NH(3) (+) substituents of the 4-fluoro-anilinium cations and the O atoms of the crown ether mol-ecules result in a rotator-stator-li...

In the title compound, [CuBr(2)(H(2)O)(2)]·C(12)H(24)O(6)·2H(2)O, the Cu(II) atom, which is situated on an inversion centre and has a slightly distorted square-planar geometry, and the two coordinated water mol-ecules are linked to the 18-crown-6 macrocycles by O-H⋯O hydrogen bonds. The water mol-ecule of crystallization further links the metal complex and the crown ether macrocycles into a cha...

Supramolecular chemistry explores the effects of non-covalent interactions on the self-organization of matter. One strand of supramolecular enquiry has led to the creation of a variety of structurally and topologically nontrivial mechanically interlocked molecules. In the pursuit of deepening the complexity of such structures we report herein the formation of a new class of mechanically interlo...

The reaction of 4-bromo-3-methyl-anilinium perchlorate and 18-crown-6 in methanol solution yielded the title compound, C(7)H(9)BrN(+)·ClO(4) (-)·C(12)H(24)O(6). The protonated 4-bromo-3-methyl-amine unit contains one -NH(3) (+) substituent, resulting in a 1:1 supra-molecular rotator-stator structure, (C(7)H(9)Br-NH(3) (+))(18-crown-6), through three bifurcated N-H⋯(O,O) hydrogen bonds between t...

The cobalt complex [{K(18-crown-6)}2(C5H5)][Co(C8H12)2]·(THF)2 (3) has been synthesized and characterized by X-ray single-crystal structure determination. The crystal structure of Co(C8H12)(C8H13) (2) has been reinvestigated and compared with the structure of 3. The 1,5-cyclooctadiene (C8H12) and C8H13 ligands are coordinated in an η4 and η3 fashion, respectively. The cyclopentadienyl anion in ...

Herein, a stimuli-responsive supramolecular metallogel was prepared by orthogonal coordination-driven self-assembly of a crown ether-based [3]pseudorotaxane and a 180° organic di-Pt(II) acceptor.

A [3 + 3] modular self-assembly gives rise to the formation of basket-shaped, crown ether-functionalized, nano-sized trimetallo-macrocycles, which function as structural analogues of cyclotriveratrylenes (CTV).

The partial positive charge of amide protons is used to promote macrocyclization and form crown-ether analogs. Their deprotonation generates very selective pH-switchable alkaline earth ion receptors only in the presence of an appropriate substrate.

Preparation of (di)benzocrown-substituted aryl-zinc or -boron reagents and their palladium-catalysed cross-coupling with functionalised aryl halides is described for convenient synthesis of novel crown ether systems.