Structure of the 1?1?1 complex between 1,4,7,10,13,16-hexaoxacyclooctadecane (18-crown-6), 2,3-dichlorophenol, and water

Autor:	Claude Bavoux, Bachir Belamri, Monique Perrin
Rok vydání:	1987
Předmět:	chemistry.chemical_classification Hydrogen bond 18-Crown-6 General Chemistry Crystal structure Condensed Matter Physics chemistry.chemical_compound Crystallography chemistry Structural Biology X-ray crystallography Molecule Dichlorophenol Spectroscopy Crown ether Monoclinic crystal system
Zdroj:	Journal of Crystallographic and Spectroscopic Research. 17:177-185
ISSN:	1572-8854 0277-8068
DOI:	10.1007/bf01160909
Popis:	The structure of the title compound, C12H24O6·C6H4OCl2·H2O, has been determined by X-ray diffraction methods. The crystals are monoclinic, space groupP21 witha=8.628(2),b=13.767(4),c=9.676(2), β=96.38(2)°, andD x =1.295 Mg m−3 forZ=2; 2355 reflections were recorded on a CAD4 diffractometer using CuKα radiation atT=243° K. The structure was solved usingMultan andShelx. The finalR value based on 1901 reflections is 0.071. The 18-crown-6 molecule has approximatelyD3d symmetry. The host molecule (18-crown-6), the guest molecule (dichlorophenol), and water form a super-molecule. Binding between host and guest is effected by bridging water molecule: the water and dichlorophenol molecule are linked by a very strong hydrogen bond (O⋯O=2.58 A); weaker interactions exist between water and oxygens of the crown ether (O⋯O distances 2.85 and 2.90 A).
Databáze:	OpenAIRE
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