Cargando…

Crystal structures of two solvates of (18-crown-6)potassium acetate

The crystal and mol­ecular strutures of two solvated forms of [K(18c6)]OAc (18c6 = 18-crown-6 = 1,4,7,10,13,16-hexa­oxa­cyclo­octa­decane and OAc = acetate) were determined by single-crystal X-ray diffraction, namely (acetato-κ(2) O,O′)(1,4,7,10,13,16-hexa­oxa­cyclo­octa­decane-κ(6) O)potassium dihy...

Descripción completa

Detalles Bibliográficos
Autores principales: Liebing, Phil, Zaeni, Ahmad, Olbrich, Falk, Edelmann, Frank T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5137602/
https://www.ncbi.nlm.nih.gov/pubmed/27980824
http://dx.doi.org/10.1107/S2056989016017436
_version_ 1782471944565686272
author Liebing, Phil
Zaeni, Ahmad
Olbrich, Falk
Edelmann, Frank T.
author_facet Liebing, Phil
Zaeni, Ahmad
Olbrich, Falk
Edelmann, Frank T.
author_sort Liebing, Phil
collection PubMed
description The crystal and mol­ecular strutures of two solvated forms of [K(18c6)]OAc (18c6 = 18-crown-6 = 1,4,7,10,13,16-hexa­oxa­cyclo­octa­decane and OAc = acetate) were determined by single-crystal X-ray diffraction, namely (acetato-κ(2) O,O′)(1,4,7,10,13,16-hexa­oxa­cyclo­octa­decane-κ(6) O)potassium dihydrate, [K(CH(3)COO)(C(12)H(24)O(6))]·2H(2)O (1) and (acetato-κ(2) O,O′)aqua­(1,4,7,10,13,16-hexa­oxa­cyclo­octa­decane-κ(6) O)potassium acetic acid monosolvate [K(CH(3)COO)(C(12)H(24)O(6))(H(2)O)]·CH(3)COOH (2). In both compounds, the acetate anion is bonded to the potassium ion in a chelating fashion and the metal atom is consequently slightly displaced from the O(6) plane of the crown ether. In the crystals, O—H⋯O hydrogen bonds lead to a polymeric ladder structure in the dihydrate 1, while the acetic acid hydrate 2 features inversion dimers.
format Online
Article
Text
id pubmed-5137602
institution National Center for Biotechnology Information
language English
publishDate 2016
publisher International Union of Crystallography
record_format MEDLINE/PubMed
spelling pubmed-51376022016-12-15 Crystal structures of two solvates of (18-crown-6)potassium acetate Liebing, Phil Zaeni, Ahmad Olbrich, Falk Edelmann, Frank T. Acta Crystallogr E Crystallogr Commun Research Communications The crystal and mol­ecular strutures of two solvated forms of [K(18c6)]OAc (18c6 = 18-crown-6 = 1,4,7,10,13,16-hexa­oxa­cyclo­octa­decane and OAc = acetate) were determined by single-crystal X-ray diffraction, namely (acetato-κ(2) O,O′)(1,4,7,10,13,16-hexa­oxa­cyclo­octa­decane-κ(6) O)potassium dihydrate, [K(CH(3)COO)(C(12)H(24)O(6))]·2H(2)O (1) and (acetato-κ(2) O,O′)aqua­(1,4,7,10,13,16-hexa­oxa­cyclo­octa­decane-κ(6) O)potassium acetic acid monosolvate [K(CH(3)COO)(C(12)H(24)O(6))(H(2)O)]·CH(3)COOH (2). In both compounds, the acetate anion is bonded to the potassium ion in a chelating fashion and the metal atom is consequently slightly displaced from the O(6) plane of the crown ether. In the crystals, O—H⋯O hydrogen bonds lead to a polymeric ladder structure in the dihydrate 1, while the acetic acid hydrate 2 features inversion dimers. International Union of Crystallography 2016-11-08 /pmc/articles/PMC5137602/ /pubmed/27980824 http://dx.doi.org/10.1107/S2056989016017436 Text en © Liebing et al. 2016 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.http://creativecommons.org/licenses/by/2.0/uk/
spellingShingle Research Communications
Liebing, Phil
Zaeni, Ahmad
Olbrich, Falk
Edelmann, Frank T.
Crystal structures of two solvates of (18-crown-6)potassium acetate
title Crystal structures of two solvates of (18-crown-6)potassium acetate
title_full Crystal structures of two solvates of (18-crown-6)potassium acetate
title_fullStr Crystal structures of two solvates of (18-crown-6)potassium acetate
title_full_unstemmed Crystal structures of two solvates of (18-crown-6)potassium acetate
title_short Crystal structures of two solvates of (18-crown-6)potassium acetate
title_sort crystal structures of two solvates of (18-crown-6)potassium acetate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5137602/
https://www.ncbi.nlm.nih.gov/pubmed/27980824
http://dx.doi.org/10.1107/S2056989016017436
work_keys_str_mv AT liebingphil crystalstructuresoftwosolvatesof18crown6potassiumacetate
AT zaeniahmad crystalstructuresoftwosolvatesof18crown6potassiumacetate
AT olbrichfalk crystalstructuresoftwosolvatesof18crown6potassiumacetate
AT edelmannfrankt crystalstructuresoftwosolvatesof18crown6potassiumacetate