The structure of the title complex, [Na 2(C 80H 98N 4O 10S 2)(H 2O)] ·4CH 3CN, obtained after crystallization from aceto-nitrile, contains two formula units in the asymmetric unit (Z′ = 2) and an estimated four mol-ecules of acetonitrile per calixarene moiety. It is unusual for two Na + ions to occupy the lower rims of the cone calixarene, as in this case, with one Na + ion forming two O Na + coordinate bonds with the two but-oxy groups and four such bonds with the two N-dansyl carboxamide groups, forming six dative bonds between Na + and O. On the other hand, the other Na + ion forms only five ONa + coordinate bonds on the far end of the calixarene lower rim, bringing the two dansyl groups in close proximity with each other. There also appears to be an ONa + coordination coming from a dangling water mol-ecule. The structure contained both resolved and poorly resolved solvent mol-ecules. The latter were treated using the SQUEEZE routine in PLATON [Spek (2009). Acta Cryst. D65, 148-155].
|Journal||Acta Crystallographica Section E: Structure Reports Online|
|Publication status||Published - Apr 1 2012|
All Science Journal Classification (ASJC) codes
- Condensed Matter Physics
- Materials Science(all)