The solid-state structure of a 4,13-diaza-18-crown-6 NaI complex: A unique chain-link assembly

<p>Reported within is the crystal structure of 4,13-diaza-18-crown-6 and NaI (P21/c; a = 7.0732(5) Å, b = 15.4058(10) Å, c = 9.9605(6) Å, b = 96.7950(10)°, V = 1077.75(12) Å3, 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. 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 [Figure not available: see fulltext.] © 2008 Springer Science+Business Media, LLC.</p>