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Aqua­(μ-cone-26,28-dibut­oxy-25,27-bis­{N-[5-(dimethyl­amino)­naphthalene-1-sulfon­yl]carbamoylmeth­oxy}-5,11,17,23-tetra­kis­(1,1-dimethyl­eth­yl)calix[4]arene(2−))disodium acetonitrile tetra­solvate

The structure of the title complex, [Na(2)(C(80)H(98)N(4)O(10)S(2))(H(2)O)]·4CH(3)CN, obtained after crystallization from aceto­nitrile, contains two formula units in the asymmetric unit (Z′ = 2) and an estimated four mol­ecules of acetonitrile per calixarene moiety. It is unusual for two Na(+) ions...

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Detalles Bibliográficos
Autores principales: Dinake, Pogisego, Prokhorova, Polina E., Talanov, Vladimir S., Butcher, Ray J., Talanova, Galina G.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2012
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343855/
https://www.ncbi.nlm.nih.gov/pubmed/22589829
http://dx.doi.org/10.1107/S1600536812010768
Descripción
Sumario:The structure of the title complex, [Na(2)(C(80)H(98)N(4)O(10)S(2))(H(2)O)]·4CH(3)CN, obtained after crystallization from aceto­nitrile, contains two formula units in the asymmetric unit (Z′ = 2) and an estimated four mol­ecules of acetonitrile per calixarene moiety. It is unusual for two Na(+) ions to occupy the lower rims of the cone calix[4]arene, as in this case, with one Na(+) ion forming two O→ Na(+) coordinate bonds with the two but­oxy 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 O→Na(+) coordinate bonds on the far end of the calix[4]arene lower rim, bringing the two dansyl groups in close proximity with each other. There also appears to be an O→Na(+) coordination coming from a dangling water mol­ecule. The structure contained both resolved and poorly resolved solvent mol­ecules. The latter were treated using the SQUEEZE routine in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148–155].