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Crystal structure of poly[[di-μ(2)-aqua-aqua­sodium] 4-amino-3,5,6-tri­chloro­pyridine-2-carboxyl­ate trihydrate], the sodium salt of the herbicide picloram

In the structure of the title complex, {[Na(H(2)O)(3)](C(6)H(2)Cl(3)N(2)O(2))·3H(2)O}(n), the sodium salt of the herbicide picloram, the cation adopts a polymeric chain structure, based on μ(2)-aqua-bridged NaO(5) trigonal–bipyramidal complex units which have, in addition, a singly bonded water mol­...

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Autor principal: Smith, Graham
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571359/
https://www.ncbi.nlm.nih.gov/pubmed/26396758
http://dx.doi.org/10.1107/S2056989015012633
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author Smith, Graham
author_facet Smith, Graham
author_sort Smith, Graham
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description In the structure of the title complex, {[Na(H(2)O)(3)](C(6)H(2)Cl(3)N(2)O(2))·3H(2)O}(n), the sodium salt of the herbicide picloram, the cation adopts a polymeric chain structure, based on μ(2)-aqua-bridged NaO(5) trigonal–bipyramidal complex units which have, in addition, a singly bonded water mol­ecule. Each of the bridges within the chain, which extends parallel to the a axis, is centrosymmetric, with Na⋯Na separations of 3.4807 (16) and 3.5109 (16) Å. In the crystal, there are three water mol­ecules of solvation and these, as well as the coordinating water mol­ecules and the amino group of the 4-amino-3,5,6-tri­chloro­picolinate anion, are involved in extensive inter-species hydrogen-bonding inter­actions with carboxyl and water O atoms, as well as the pyridine N atom. Among these associations is a centrosymmetric cyclic tetra­water R (4) (4)(8) motif, resulting in an overall three-dimensional structure.
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spelling pubmed-45713592015-09-22 Crystal structure of poly[[di-μ(2)-aqua-aqua­sodium] 4-amino-3,5,6-tri­chloro­pyridine-2-carboxyl­ate trihydrate], the sodium salt of the herbicide picloram Smith, Graham Acta Crystallogr E Crystallogr Commun Research Communications In the structure of the title complex, {[Na(H(2)O)(3)](C(6)H(2)Cl(3)N(2)O(2))·3H(2)O}(n), the sodium salt of the herbicide picloram, the cation adopts a polymeric chain structure, based on μ(2)-aqua-bridged NaO(5) trigonal–bipyramidal complex units which have, in addition, a singly bonded water mol­ecule. Each of the bridges within the chain, which extends parallel to the a axis, is centrosymmetric, with Na⋯Na separations of 3.4807 (16) and 3.5109 (16) Å. In the crystal, there are three water mol­ecules of solvation and these, as well as the coordinating water mol­ecules and the amino group of the 4-amino-3,5,6-tri­chloro­picolinate anion, are involved in extensive inter-species hydrogen-bonding inter­actions with carboxyl and water O atoms, as well as the pyridine N atom. Among these associations is a centrosymmetric cyclic tetra­water R (4) (4)(8) motif, resulting in an overall three-dimensional structure. International Union of Crystallography 2015-07-15 /pmc/articles/PMC4571359/ /pubmed/26396758 http://dx.doi.org/10.1107/S2056989015012633 Text en © Graham Smith 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 Research Communications
Smith, Graham
Crystal structure of poly[[di-μ(2)-aqua-aqua­sodium] 4-amino-3,5,6-tri­chloro­pyridine-2-carboxyl­ate trihydrate], the sodium salt of the herbicide picloram
title Crystal structure of poly[[di-μ(2)-aqua-aqua­sodium] 4-amino-3,5,6-tri­chloro­pyridine-2-carboxyl­ate trihydrate], the sodium salt of the herbicide picloram
title_full Crystal structure of poly[[di-μ(2)-aqua-aqua­sodium] 4-amino-3,5,6-tri­chloro­pyridine-2-carboxyl­ate trihydrate], the sodium salt of the herbicide picloram
title_fullStr Crystal structure of poly[[di-μ(2)-aqua-aqua­sodium] 4-amino-3,5,6-tri­chloro­pyridine-2-carboxyl­ate trihydrate], the sodium salt of the herbicide picloram
title_full_unstemmed Crystal structure of poly[[di-μ(2)-aqua-aqua­sodium] 4-amino-3,5,6-tri­chloro­pyridine-2-carboxyl­ate trihydrate], the sodium salt of the herbicide picloram
title_short Crystal structure of poly[[di-μ(2)-aqua-aqua­sodium] 4-amino-3,5,6-tri­chloro­pyridine-2-carboxyl­ate trihydrate], the sodium salt of the herbicide picloram
title_sort crystal structure of poly[[di-μ(2)-aqua-aqua­sodium] 4-amino-3,5,6-tri­chloro­pyridine-2-carboxyl­ate trihydrate], the sodium salt of the herbicide picloram
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4571359/
https://www.ncbi.nlm.nih.gov/pubmed/26396758
http://dx.doi.org/10.1107/S2056989015012633
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