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Crystal structure of di-μ-aqua-μ-(pyrazine N,N′-dioxide)-κ(2) O:O-bis­(di­aqua­sodium) tetra­phenyl­borate dihydrate pyrazine N,N′-dioxide monosolvate

The search for novel lanthanide coordination networks using pyrazine N,N′-dioxide (pzdo, C(4)H(4)N(2)O(2)) as a structure-directing unit, led to the synthesis and the structure determination of the title compound, [Na(2)(C(4)H(4)N(2)O(2))(H(2)O)(6)][B(C(6)H(5))(4)](2)·C(4)H(4)N(2)O(2)·2H(2)O. The cr...

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Detalles Bibliográficos
Autores principales: Boron, Elaine P., Carter, Kelsey K., Knaust, Jacqueline M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719815/
https://www.ncbi.nlm.nih.gov/pubmed/26870406
http://dx.doi.org/10.1107/S205698901502071X
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author Boron, Elaine P.
Carter, Kelsey K.
Knaust, Jacqueline M.
author_facet Boron, Elaine P.
Carter, Kelsey K.
Knaust, Jacqueline M.
author_sort Boron, Elaine P.
collection PubMed
description The search for novel lanthanide coordination networks using pyrazine N,N′-dioxide (pzdo, C(4)H(4)N(2)O(2)) as a structure-directing unit, led to the synthesis and the structure determination of the title compound, [Na(2)(C(4)H(4)N(2)O(2))(H(2)O)(6)][B(C(6)H(5))(4)](2)·C(4)H(4)N(2)O(2)·2H(2)O. The crystal structure is comprised of discrete [{Na(H(2)O)(2)}(2)(μ-H(2)O)(2)(μ-pzdo)](2+) cations and tetra­phenyl­borate anions, as well as pzdo and H(2)O solvent mol­ecules. The dinuclear cation is located about a twofold rotation axis, and the symmetry-related Na(I) atoms display a distorted square-pyramidal coordination sphere defined by two O atoms of terminal water ligands, two O atoms of bridging water ligands and one O atom of a bridging pzdo ligand. In the crystal, O—H⋯O hydrogen bonds link the dinuclear cation and solvent pzdo mol­ecules (point-group symmetry -1) into rectangular grid-like layers parallel to the bc plane. Additional C—H⋯O, O—H⋯O, C—H⋯π and O—H⋯π inter­actions link the anion and solvent water mol­ecules to the layers. The layers are further linked into a three-dimensional network through a combination of C—H⋯π and O—H⋯π hydrogen bonds involving the tetra­phenyl­borate anion.
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spelling pubmed-47198152016-02-11 Crystal structure of di-μ-aqua-μ-(pyrazine N,N′-dioxide)-κ(2) O:O-bis­(di­aqua­sodium) tetra­phenyl­borate dihydrate pyrazine N,N′-dioxide monosolvate Boron, Elaine P. Carter, Kelsey K. Knaust, Jacqueline M. Acta Crystallogr E Crystallogr Commun Research Communications The search for novel lanthanide coordination networks using pyrazine N,N′-dioxide (pzdo, C(4)H(4)N(2)O(2)) as a structure-directing unit, led to the synthesis and the structure determination of the title compound, [Na(2)(C(4)H(4)N(2)O(2))(H(2)O)(6)][B(C(6)H(5))(4)](2)·C(4)H(4)N(2)O(2)·2H(2)O. The crystal structure is comprised of discrete [{Na(H(2)O)(2)}(2)(μ-H(2)O)(2)(μ-pzdo)](2+) cations and tetra­phenyl­borate anions, as well as pzdo and H(2)O solvent mol­ecules. The dinuclear cation is located about a twofold rotation axis, and the symmetry-related Na(I) atoms display a distorted square-pyramidal coordination sphere defined by two O atoms of terminal water ligands, two O atoms of bridging water ligands and one O atom of a bridging pzdo ligand. In the crystal, O—H⋯O hydrogen bonds link the dinuclear cation and solvent pzdo mol­ecules (point-group symmetry -1) into rectangular grid-like layers parallel to the bc plane. Additional C—H⋯O, O—H⋯O, C—H⋯π and O—H⋯π inter­actions link the anion and solvent water mol­ecules to the layers. The layers are further linked into a three-dimensional network through a combination of C—H⋯π and O—H⋯π hydrogen bonds involving the tetra­phenyl­borate anion. International Union of Crystallography 2015-11-07 /pmc/articles/PMC4719815/ /pubmed/26870406 http://dx.doi.org/10.1107/S205698901502071X Text en © Boron et al. 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
Boron, Elaine P.
Carter, Kelsey K.
Knaust, Jacqueline M.
Crystal structure of di-μ-aqua-μ-(pyrazine N,N′-dioxide)-κ(2) O:O-bis­(di­aqua­sodium) tetra­phenyl­borate dihydrate pyrazine N,N′-dioxide monosolvate
title Crystal structure of di-μ-aqua-μ-(pyrazine N,N′-dioxide)-κ(2) O:O-bis­(di­aqua­sodium) tetra­phenyl­borate dihydrate pyrazine N,N′-dioxide monosolvate
title_full Crystal structure of di-μ-aqua-μ-(pyrazine N,N′-dioxide)-κ(2) O:O-bis­(di­aqua­sodium) tetra­phenyl­borate dihydrate pyrazine N,N′-dioxide monosolvate
title_fullStr Crystal structure of di-μ-aqua-μ-(pyrazine N,N′-dioxide)-κ(2) O:O-bis­(di­aqua­sodium) tetra­phenyl­borate dihydrate pyrazine N,N′-dioxide monosolvate
title_full_unstemmed Crystal structure of di-μ-aqua-μ-(pyrazine N,N′-dioxide)-κ(2) O:O-bis­(di­aqua­sodium) tetra­phenyl­borate dihydrate pyrazine N,N′-dioxide monosolvate
title_short Crystal structure of di-μ-aqua-μ-(pyrazine N,N′-dioxide)-κ(2) O:O-bis­(di­aqua­sodium) tetra­phenyl­borate dihydrate pyrazine N,N′-dioxide monosolvate
title_sort crystal structure of di-μ-aqua-μ-(pyrazine n,n′-dioxide)-κ(2) o:o-bis­(di­aqua­sodium) tetra­phenyl­borate dihydrate pyrazine n,n′-dioxide monosolvate
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719815/
https://www.ncbi.nlm.nih.gov/pubmed/26870406
http://dx.doi.org/10.1107/S205698901502071X
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