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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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Autor principal: Smith, Graham
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2014
Materias:
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
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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.
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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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