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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...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2012
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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 |
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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 |
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