ISSN:
1573-1111
Keywords:
X-ray structure analysis
;
inclusion compound
;
heterocalix[8]arene host
;
ethyl acetate guest
;
water clustering
;
hydrogen bonding
Source:
Springer Online Journal Archives 1860-2000
Topics:
Chemistry and Pharmacology
Notes:
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.
Type of Medium:
Electronic Resource
URL:
http://dx.doi.org/10.1023/A:1008032716507
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