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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...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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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. |
format | Online Article Text |
id | pubmed-4719815 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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