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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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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2015
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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 |
collection | PubMed |
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. |
format | Online Article Text |
id | pubmed-4571359 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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