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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...

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Autores principales: Nichol, Gary S., Frost, Jamie M., Sanz, Sergio, Brechin, Euan K.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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.
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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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