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Crystal structure of the magnesium salt of the herbicide 2,4-D: pentaaqua[(2,4-dichlorophenoxy)acetato-κO]magnesium (2,4-dichlorophenoxy)acetate hemihydrate
In the crystal structure of the title magnesium salt of the phenoxy herbicide (2,4-dichlorophenoxy)acetic acid (2,4-D), [Mg(C(8)H(5)Cl(2)O(3))(H(2)O)(5)](C(8)H(5)Cl(2)O(3))·0.5H(2)O, the discrete cationic MgO(6) complex unit comprises a carboxylate O-donor from a monodentate 2,4-D anionic ligan...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2014
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257221/ https://www.ncbi.nlm.nih.gov/pubmed/25484641 http://dx.doi.org/10.1107/S1600536814019357 |
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author | Smith, Graham |
author_facet | Smith, Graham |
author_sort | Smith, Graham |
collection | PubMed |
description | In the crystal structure of the title magnesium salt of the phenoxy herbicide (2,4-dichlorophenoxy)acetic acid (2,4-D), [Mg(C(8)H(5)Cl(2)O(3))(H(2)O)(5)](C(8)H(5)Cl(2)O(3))·0.5H(2)O, the discrete cationic MgO(6) complex unit comprises a carboxylate O-donor from a monodentate 2,4-D anionic ligand and five water molecules, resulting in a slightly distorted octahedral coordination sphere. The free 2,4-D anions are linked to the complex units through duplex water–carboxylate O—H⋯O hydrogen bonds through the coordinating water molecules. In the crystal, inter-unit O—H⋯O hydrogen-bonding interactions involving coordinating water molecules as well as the solvent water molecule (occupancy 0.5) with carboxylate O-atom acceptors, give a layered structure lying parallel to (001), in which π–π ligand–cation interactions [minimum ring centroid separation = 3.6405 (17) Å] and a short O—H⋯Cl interaction are also found. |
format | Online Article Text |
id | pubmed-4257221 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-42572212014-12-05 Crystal structure of the magnesium salt of the herbicide 2,4-D: pentaaqua[(2,4-dichlorophenoxy)acetato-κO]magnesium (2,4-dichlorophenoxy)acetate hemihydrate Smith, Graham Acta Crystallogr Sect E Struct Rep Online Research Communications In the crystal structure of the title magnesium salt of the phenoxy herbicide (2,4-dichlorophenoxy)acetic acid (2,4-D), [Mg(C(8)H(5)Cl(2)O(3))(H(2)O)(5)](C(8)H(5)Cl(2)O(3))·0.5H(2)O, the discrete cationic MgO(6) complex unit comprises a carboxylate O-donor from a monodentate 2,4-D anionic ligand and five water molecules, resulting in a slightly distorted octahedral coordination sphere. The free 2,4-D anions are linked to the complex units through duplex water–carboxylate O—H⋯O hydrogen bonds through the coordinating water molecules. In the crystal, inter-unit O—H⋯O hydrogen-bonding interactions involving coordinating water molecules as well as the solvent water molecule (occupancy 0.5) with carboxylate O-atom acceptors, give a layered structure lying parallel to (001), in which π–π ligand–cation interactions [minimum ring centroid separation = 3.6405 (17) Å] and a short O—H⋯Cl interaction are also found. International Union of Crystallography 2014-09-03 /pmc/articles/PMC4257221/ /pubmed/25484641 http://dx.doi.org/10.1107/S1600536814019357 Text en © Graham Smith 2014 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 | Research Communications Smith, Graham Crystal structure of the magnesium salt of the herbicide 2,4-D: pentaaqua[(2,4-dichlorophenoxy)acetato-κO]magnesium (2,4-dichlorophenoxy)acetate hemihydrate |
title | Crystal structure of the magnesium salt of the herbicide 2,4-D: pentaaqua[(2,4-dichlorophenoxy)acetato-κO]magnesium (2,4-dichlorophenoxy)acetate hemihydrate |
title_full | Crystal structure of the magnesium salt of the herbicide 2,4-D: pentaaqua[(2,4-dichlorophenoxy)acetato-κO]magnesium (2,4-dichlorophenoxy)acetate hemihydrate |
title_fullStr | Crystal structure of the magnesium salt of the herbicide 2,4-D: pentaaqua[(2,4-dichlorophenoxy)acetato-κO]magnesium (2,4-dichlorophenoxy)acetate hemihydrate |
title_full_unstemmed | Crystal structure of the magnesium salt of the herbicide 2,4-D: pentaaqua[(2,4-dichlorophenoxy)acetato-κO]magnesium (2,4-dichlorophenoxy)acetate hemihydrate |
title_short | Crystal structure of the magnesium salt of the herbicide 2,4-D: pentaaqua[(2,4-dichlorophenoxy)acetato-κO]magnesium (2,4-dichlorophenoxy)acetate hemihydrate |
title_sort | crystal structure of the magnesium salt of the herbicide 2,4-d: pentaaqua[(2,4-dichlorophenoxy)acetato-κo]magnesium (2,4-dichlorophenoxy)acetate hemihydrate |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257221/ https://www.ncbi.nlm.nih.gov/pubmed/25484641 http://dx.doi.org/10.1107/S1600536814019357 |
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