Heterocalixarene Inclusion Chemistry. Structure of a Crystalline Host-Guest Complex Including endo-Calix Ethyl Acetate and exo-Calix Clustering of Water |
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| Authors: | Edwin Weber,J Oouml rg Trepte,Victor Ch. Kravtsov,Yurii A. Simonov,Edward V. Ganin,Janusz Lipkowski |
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| Affiliation: | (1) Institut für Organische Chemie, Technische Universität Bergakademie Freiberg, Leipziger Str. 29, D-09596 Freiberg/Sachs., Germany;(2) Institute of Applied Physics, Academy of Sciences of Moldova, Academy Str. 5, MD 2028 Kishinev, Moldova;(3) Institute of Environment and Human Protection, Odessa State University, 270100 Odessa, Ukraine;(4) Institute of Physical Chemistry, Polish Academy of Sciences, 01-244 Warsaw, Poland |
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| 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. |
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| Keywords: | X-ray structure analysis inclusion compound heterocalix[8]arene host ethyl acetate guest water clustering hydrogen bonding |
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