Cargando…

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...

Descripción completa

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
_version_ 1782231860528545792
author Dinake, Pogisego
Prokhorova, Polina E.
Talanov, Vladimir S.
Butcher, Ray J.
Talanova, Galina G.
author_facet Dinake, Pogisego
Prokhorova, Polina E.
Talanov, Vladimir S.
Butcher, Ray J.
Talanova, Galina G.
author_sort Dinake, Pogisego
collection PubMed
description 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].
format Online
Article
Text
id pubmed-3343855
institution National Center for Biotechnology Information
language English
publishDate 2012
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-33438552012-05-15 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 Dinake, Pogisego Prokhorova, Polina E. Talanov, Vladimir S. Butcher, Ray J. Talanova, Galina G. Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers 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]. International Union of Crystallography 2012-03-21 /pmc/articles/PMC3343855/ /pubmed/22589829 http://dx.doi.org/10.1107/S1600536812010768 Text en © Dinake et al. 2012 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.
spellingShingle Metal-Organic Papers
Dinake, Pogisego
Prokhorova, Polina E.
Talanov, Vladimir S.
Butcher, Ray J.
Talanova, Galina G.
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
title 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
title_full 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
title_fullStr 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
title_full_unstemmed 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
title_short 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
title_sort 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
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3343855/
https://www.ncbi.nlm.nih.gov/pubmed/22589829
http://dx.doi.org/10.1107/S1600536812010768
work_keys_str_mv AT dinakepogisego aquamcone2628dibutoxy2527bisn5dimethylaminonaphthalene1sulfonylcarbamoylmethoxy5111723tetrakis11dimethylethylcalix4arene2disodiumacetonitriletetrasolvate
AT prokhorovapolinae aquamcone2628dibutoxy2527bisn5dimethylaminonaphthalene1sulfonylcarbamoylmethoxy5111723tetrakis11dimethylethylcalix4arene2disodiumacetonitriletetrasolvate
AT talanovvladimirs aquamcone2628dibutoxy2527bisn5dimethylaminonaphthalene1sulfonylcarbamoylmethoxy5111723tetrakis11dimethylethylcalix4arene2disodiumacetonitriletetrasolvate
AT butcherrayj aquamcone2628dibutoxy2527bisn5dimethylaminonaphthalene1sulfonylcarbamoylmethoxy5111723tetrakis11dimethylethylcalix4arene2disodiumacetonitriletetrasolvate
AT talanovagalinag aquamcone2628dibutoxy2527bisn5dimethylaminonaphthalene1sulfonylcarbamoylmethoxy5111723tetrakis11dimethylethylcalix4arene2disodiumacetonitriletetrasolvate