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Crystal structure of 2-hydroxy-N-(2-hydroxyethyl)-N-{2-hydroxy-3-[(E)-N-hydroxyethanimidoyl]-5-methylbenzyl}ethanaminium acetate monohydrate
The structure of the title hydrated molecular salt, C(14)H(23)N(2)O(4) (+)·C(2)H(3)O(2) (−)·H(2)O, was determined as part of a wider study on the use of the molecule as a polydentate ligand in the synthesis of Mn(III) clusters with magnetic properties. The cation features intramolecular O—H⋯N and...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350734/ https://www.ncbi.nlm.nih.gov/pubmed/25844240 http://dx.doi.org/10.1107/S2056989015002418 |
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author | Nichol, Gary S. Frost, Jamie M. Sanz, Sergio Brechin, Euan K. |
author_facet | Nichol, Gary S. Frost, Jamie M. Sanz, Sergio Brechin, Euan K. |
author_sort | Nichol, Gary S. |
collection | PubMed |
description | The structure of the title hydrated molecular salt, C(14)H(23)N(2)O(4) (+)·C(2)H(3)O(2) (−)·H(2)O, was determined as part of a wider study on the use of the molecule as a polydentate ligand in the synthesis of Mn(III) clusters with magnetic properties. The cation features intramolecular O—H⋯N and N—H⋯O hydrogen-bond interactions. The crystal structure features a range of intermolecular hydrogen-bonding interactions, principally O—H⋯O interactions between all three species in the asymmetric unit. An R (2) (4)(8) graph-set hydrogen-bonding motif between the anion and water molecules serves as a unit which links to the cation via the diethanolamine group. Each O atom of the acetate anion accepts two hydrogen bonds. |
format | Online Article Text |
id | pubmed-4350734 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-43507342015-04-03 Crystal structure of 2-hydroxy-N-(2-hydroxyethyl)-N-{2-hydroxy-3-[(E)-N-hydroxyethanimidoyl]-5-methylbenzyl}ethanaminium acetate monohydrate Nichol, Gary S. Frost, Jamie M. Sanz, Sergio Brechin, Euan K. Acta Crystallogr E Crystallogr Commun Data Reports The structure of the title hydrated molecular salt, C(14)H(23)N(2)O(4) (+)·C(2)H(3)O(2) (−)·H(2)O, was determined as part of a wider study on the use of the molecule as a polydentate ligand in the synthesis of Mn(III) clusters with magnetic properties. The cation features intramolecular O—H⋯N and N—H⋯O hydrogen-bond interactions. The crystal structure features a range of intermolecular hydrogen-bonding interactions, principally O—H⋯O interactions between all three species in the asymmetric unit. An R (2) (4)(8) graph-set hydrogen-bonding motif between the anion and water molecules serves as a unit which links to the cation via the diethanolamine group. Each O atom of the acetate anion accepts two hydrogen bonds. International Union of Crystallography 2015-02-18 /pmc/articles/PMC4350734/ /pubmed/25844240 http://dx.doi.org/10.1107/S2056989015002418 Text en © Nichol et al. 2015 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 | Data Reports Nichol, Gary S. Frost, Jamie M. Sanz, Sergio Brechin, Euan K. Crystal structure of 2-hydroxy-N-(2-hydroxyethyl)-N-{2-hydroxy-3-[(E)-N-hydroxyethanimidoyl]-5-methylbenzyl}ethanaminium acetate monohydrate |
title | Crystal structure of 2-hydroxy-N-(2-hydroxyethyl)-N-{2-hydroxy-3-[(E)-N-hydroxyethanimidoyl]-5-methylbenzyl}ethanaminium acetate monohydrate |
title_full | Crystal structure of 2-hydroxy-N-(2-hydroxyethyl)-N-{2-hydroxy-3-[(E)-N-hydroxyethanimidoyl]-5-methylbenzyl}ethanaminium acetate monohydrate |
title_fullStr | Crystal structure of 2-hydroxy-N-(2-hydroxyethyl)-N-{2-hydroxy-3-[(E)-N-hydroxyethanimidoyl]-5-methylbenzyl}ethanaminium acetate monohydrate |
title_full_unstemmed | Crystal structure of 2-hydroxy-N-(2-hydroxyethyl)-N-{2-hydroxy-3-[(E)-N-hydroxyethanimidoyl]-5-methylbenzyl}ethanaminium acetate monohydrate |
title_short | Crystal structure of 2-hydroxy-N-(2-hydroxyethyl)-N-{2-hydroxy-3-[(E)-N-hydroxyethanimidoyl]-5-methylbenzyl}ethanaminium acetate monohydrate |
title_sort | crystal structure of 2-hydroxy-n-(2-hydroxyethyl)-n-{2-hydroxy-3-[(e)-n-hydroxyethanimidoyl]-5-methylbenzyl}ethanaminium acetate monohydrate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4350734/ https://www.ncbi.nlm.nih.gov/pubmed/25844240 http://dx.doi.org/10.1107/S2056989015002418 |
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