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Hexa­aqua­bis­[3,5-bis­(hy­droxy­imino)-1-methyl-2,4,6-trioxo­cyclo­hexa­nido-κ(2) N (3),O (4)]barium tetrahydrate

In the title compound, [Ba(C(7)H(5)N(2)O(5))(2)(H(2)O)(6)]·4H(2)O, the Ba(2+) cation lies on a twofold rotation axis and is ten-coordinated by two 3,5-bis­(hy­droxy­imino)-1-methyl-2,4,6-trioxo­cyclo­hexa­n­ide oxo O atoms [Ba—O = 2.8715 (17) Å], two hy­droxy­imino N atoms [Ba—N = 3.036 (2) Å], and...

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Autores principales: Dinh Do, Nguyen, Kovalchukova, Olga, Stash, Adam, Strashnova, Svetlana
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2013
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884258/
https://www.ncbi.nlm.nih.gov/pubmed/24454034
http://dx.doi.org/10.1107/S1600536813027761
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author Dinh Do, Nguyen
Kovalchukova, Olga
Stash, Adam
Strashnova, Svetlana
author_facet Dinh Do, Nguyen
Kovalchukova, Olga
Stash, Adam
Strashnova, Svetlana
author_sort Dinh Do, Nguyen
collection PubMed
description In the title compound, [Ba(C(7)H(5)N(2)O(5))(2)(H(2)O)(6)]·4H(2)O, the Ba(2+) cation lies on a twofold rotation axis and is ten-coordinated by two 3,5-bis­(hy­droxy­imino)-1-methyl-2,4,6-trioxo­cyclo­hexa­n­ide oxo O atoms [Ba—O = 2.8715 (17) Å], two hy­droxy­imino N atoms [Ba—N = 3.036 (2) Å], and six water mol­ecules [Ba—O = 2.847 (2), 2.848 (2), and 2.880 (2) Å]. The 3,5-bis­(hy­droxy­imino)-1-methyl-2,4,6-trioxo­cyclo­hexa­nide monoanions act in a bidentate chelating manner, coordinating through an N atom of the non-deprotonated hy­droxy­imino group and an O atom of the neighboring oxo group. Two lattice water mol­ecules are located in the cavities of the framework and are involved in hydrogen bonding to O atoms of one of the coordinating water mol­ecules and the O atom of a keto group of the ligand. As a result, a three-dimensional network is formed.
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spelling pubmed-38842582014-01-17 Hexa­aqua­bis­[3,5-bis­(hy­droxy­imino)-1-methyl-2,4,6-trioxo­cyclo­hexa­nido-κ(2) N (3),O (4)]barium tetrahydrate Dinh Do, Nguyen Kovalchukova, Olga Stash, Adam Strashnova, Svetlana Acta Crystallogr Sect E Struct Rep Online Metal-Organic Papers In the title compound, [Ba(C(7)H(5)N(2)O(5))(2)(H(2)O)(6)]·4H(2)O, the Ba(2+) cation lies on a twofold rotation axis and is ten-coordinated by two 3,5-bis­(hy­droxy­imino)-1-methyl-2,4,6-trioxo­cyclo­hexa­n­ide oxo O atoms [Ba—O = 2.8715 (17) Å], two hy­droxy­imino N atoms [Ba—N = 3.036 (2) Å], and six water mol­ecules [Ba—O = 2.847 (2), 2.848 (2), and 2.880 (2) Å]. The 3,5-bis­(hy­droxy­imino)-1-methyl-2,4,6-trioxo­cyclo­hexa­nide monoanions act in a bidentate chelating manner, coordinating through an N atom of the non-deprotonated hy­droxy­imino group and an O atom of the neighboring oxo group. Two lattice water mol­ecules are located in the cavities of the framework and are involved in hydrogen bonding to O atoms of one of the coordinating water mol­ecules and the O atom of a keto group of the ligand. As a result, a three-dimensional network is formed. International Union of Crystallography 2013-10-16 /pmc/articles/PMC3884258/ /pubmed/24454034 http://dx.doi.org/10.1107/S1600536813027761 Text en © Dinh Do et al. 2013 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 Metal-Organic Papers
Dinh Do, Nguyen
Kovalchukova, Olga
Stash, Adam
Strashnova, Svetlana
Hexa­aqua­bis­[3,5-bis­(hy­droxy­imino)-1-methyl-2,4,6-trioxo­cyclo­hexa­nido-κ(2) N (3),O (4)]barium tetrahydrate
title Hexa­aqua­bis­[3,5-bis­(hy­droxy­imino)-1-methyl-2,4,6-trioxo­cyclo­hexa­nido-κ(2) N (3),O (4)]barium tetrahydrate
title_full Hexa­aqua­bis­[3,5-bis­(hy­droxy­imino)-1-methyl-2,4,6-trioxo­cyclo­hexa­nido-κ(2) N (3),O (4)]barium tetrahydrate
title_fullStr Hexa­aqua­bis­[3,5-bis­(hy­droxy­imino)-1-methyl-2,4,6-trioxo­cyclo­hexa­nido-κ(2) N (3),O (4)]barium tetrahydrate
title_full_unstemmed Hexa­aqua­bis­[3,5-bis­(hy­droxy­imino)-1-methyl-2,4,6-trioxo­cyclo­hexa­nido-κ(2) N (3),O (4)]barium tetrahydrate
title_short Hexa­aqua­bis­[3,5-bis­(hy­droxy­imino)-1-methyl-2,4,6-trioxo­cyclo­hexa­nido-κ(2) N (3),O (4)]barium tetrahydrate
title_sort hexa­aqua­bis­[3,5-bis­(hy­droxy­imino)-1-methyl-2,4,6-trioxo­cyclo­hexa­nido-κ(2) n (3),o (4)]barium tetrahydrate
topic Metal-Organic Papers
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC3884258/
https://www.ncbi.nlm.nih.gov/pubmed/24454034
http://dx.doi.org/10.1107/S1600536813027761
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