Crown ether alcohols. 1. Crystal and molecular structure of the complex between sym-hydroxydibenzo-14-crown-4- and water molecules ((C sub 18 H sub 20 O sub 5 )ter dot 1. 25(H sub 2 O)ter dot 0. 125(CH sub 3 OH)) including interesting water-methanol channels
- Weizmann Institute of Science, Rehovot (Israel) Texas Tech Univ., Lubbock (USA) Hebrew Univ. of Jerusalem (Israel)
The synthesis and crystal structure of the title compound are described. Single-crystal x-ray structure analysis indicates 8 formula units in the unit cell of parameters a = 16.024 (1) {angstrom} and c = 13.076 (1) {angstrom}. The space group is I{bar 4}. Direct methods yielded the structure, which was refined by least-squares techniques to a final R factor of 0.038 for 1533 independent observations. Unusual water-methanol channels are found in this structure. The crystal packing of the complex includes hydrophilic water-methanol channels which are surrounded by hydrophobic cylinders consisting mainly of benzo rings and methylene groups. The crystal structure provides a model for the encapsulation of water molecules by hydrophobic regions with potential application for the formation of hydrophilic pores in biological bilayers.
- OSTI ID:
- 6725494
- Journal Information:
- Journal of the American Chemical Society; (USA), Journal Name: Journal of the American Chemical Society; (USA) Vol. 111:26; ISSN 0002-7863; ISSN JACSA
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
400200* -- Inorganic
Organic
& Physical Chemistry
ALCOHOLS
CALCULATION METHODS
CRYSTAL STRUCTURE
DATA
DATA ANALYSIS
ETHERS
EXPERIMENTAL DATA
HYDROGEN COMPOUNDS
HYDROXY COMPOUNDS
INFORMATION
MEASURING INSTRUMENTS
MEASURING METHODS
METHANOL
NUMERICAL DATA
ORGANIC COMPOUNDS
ORGANIC OXYGEN COMPOUNDS
OXYGEN COMPOUNDS
SYNTHESIS
WATER