The Solid-state Structure of a 4,13-Diaza-18-crown-6 NaI Complex: A Unique Chain-link Assembly |
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| Authors: | Eric S. Meadows Brock D. Levin Elizabeth K. Elliott Leonard J. Barbour George W. Gokel |
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| Affiliation: | (1) School of Medicine, Washington University, St. Louis, MO 63110, USA;(2) Departments of Chemistry & Biochemistry and Biology, University of Missouri – St. Louis, One University Blvd., St. Louis, MO 63121, USA;(3) Department of Chemistry, University of Stellenbosch, Matieland, 7602, South Africa;(4) Center for Nanoscience, University of Missouri – St. Louis, One University Blvd., St. Louis, MO 63121, USA |
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| Abstract: | ![]()
Abstract Reported within is the crystal structure of 4,13-diaza-18-crown-6 and NaI (P21/c; a = 7.0732(5) ?, b = 15.4058(10) ?, c = 9.9605(6) ?, b = 96.7950(10)°, V = 1077.75(12) ?3, Z = 2). The structure was obtained serendipitously from a crystallization attempt of these two components in the presence of indole. There are two non-equivalent sodium cations, one encapsulated within the diazacrown, and a second cation linking two adjacent diazacrowns and coordinating to both. The sodium cations are also linked through a water bridge. This leads to the formation of infinite 1–D chains in which iodide counterions occupy the space between the chains. This is the first reported example of an unsubstituted 4,13-diaza-18-crown-6 encapsulating Na+. The first structure of 4,13-diaza-18-crown-6 and NaI containing two symmetrically inequivalent Na+ ions, only one of which is encapsulated by the diazacrown, is reported. Index Abstract The first structure of 4,13-diaza-18-crown-6 and NaI containing two symmetrically inequivalent Na+ ions, only one of which is encapsulated by the diazacrown, is reported  |
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| Keywords: | Crown ether Cation binding Crystal structure |
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