Heterocalixarene Inclusion Chemistry. Structure of a Crystalline Host-Guest Complex Including endo-Calix Ethyl Acetate and exo-Calix Clustering of Water View Full Text


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Article Info

DATE

2000-03

AUTHORS

Edwin Weber, J Oouml;rg Trepte, Victor Ch. Kravtsov, Yurii A. Simonov, Edward V. Ganin, Janusz Lipkowski

ABSTRACT

The X-ray crystal structure of the solvent inclusion compound formed between heterocalix[8]arene 1, ethyl acetate and water (1 : 1 : 4.5) has been studied. The compound crystallized in tetragonal space group I41/a, a = b = 21.278(3), c = 31.290(4) Å, V = 14167(4) Å3, Z = 8. The host molecule, incorporating benzimidazol-2-one and 2,5-dimethoxy-1,3-phenylene subunits in an alternate cyclic arrangement, forms an almost perfectly closed cavity which encapsulates one solvent ethyl acetate guest molecule. Water molecules being entrapped in the lattice cages in the form of cyclic and linear clusters bind the bulky inclusion complexes via H-bonds in infinite layers. Two symmetry center related benzimidazole-2-one moieties of two hosts from neighbouring layers in the crystal lattice are arranged such that they partially overlap exhibiting stacking interaction. More... »

PAGES

247-257

References to SciGraph publications

  • 1992-08. Symbolic representation of the molecular conformation of calixarenes in JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY
  • 1983-03. A proposal for the classification and nomenclature of host-guest-type compounds in JOURNAL OF INCLUSION PHENOMENA AND MACROCYCLIC CHEMISTRY
  • Identifiers

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    http://scigraph.springernature.com/pub.10.1023/a:1008032716507

    DOI

    http://dx.doi.org/10.1023/a:1008032716507

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