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Crystal structure of di­aqua­bis­(2,6-di­methyl­pyrazine-κN (4))bis­(thio­cyanato-κN)cobalt(II) 2,5-di­methyl­pyrazine monosolvate

In the crystal structure of the title compound, [Co(NCS)(2)(C(6)H(8)N(2))(2)(H(2)O)(2)]·C(6)H(8)N(2), the Co(II) cation is coordinated by the N atoms of two terminal thio­cyanate anions, the O atoms of two water mol­ecules and two N atoms of two 2,6-di­methyl­pyrazine ligands. The coordination spher...

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Autores principales: Suckert, Stefan, Wöhlert, Susanne, Jess, Inke, Näther, Christian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719854/
https://www.ncbi.nlm.nih.gov/pubmed/26870445
http://dx.doi.org/10.1107/S2056989015021829
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author Suckert, Stefan
Wöhlert, Susanne
Jess, Inke
Näther, Christian
author_facet Suckert, Stefan
Wöhlert, Susanne
Jess, Inke
Näther, Christian
author_sort Suckert, Stefan
collection PubMed
description In the crystal structure of the title compound, [Co(NCS)(2)(C(6)H(8)N(2))(2)(H(2)O)(2)]·C(6)H(8)N(2), the Co(II) cation is coordinated by the N atoms of two terminal thio­cyanate anions, the O atoms of two water mol­ecules and two N atoms of two 2,6-di­methyl­pyrazine ligands. The coordination sphere of the resulting discrete complex is that of a slightly distorted octa­hedron. The asymmetric unit comprises a Co(II) cation and half of a 2,5-di­methyl­pyrazine ligand, both of which are located on centres of inversion, and a water ligand, a 2,6-di­­methyl­pyrazine ligand and one thio­cyanate anion in general positions. In the crystal, the discrete complexes are arranged in such a way that cavities are formed in which the 2,5-di­methyl­pyrazine solvent mol­ecules are located. The coordination of the 2,5-di­methyl­pyrazine mol­ecules to the metal is apparently hindered due to the bulky methyl groups in vicinal positions to the N atoms, leading to a preferential coordination of the 2,6-di­methyl­pyrazine ligands. The discrete complexes are linked by O—H⋯N hydrogen bonds between one water H atom and the non-coordinating N atom of the 2,6-di­methyl­pyrazine ligands. The remaining water H atom is hydrogen bonded to one N atom of the 2,5-di­methyl­pyrazine solvent mol­ecule. This arrangement leads to the formation of a two-dimensional network extending parallel to (010).
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spelling pubmed-47198542016-02-11 Crystal structure of di­aqua­bis­(2,6-di­methyl­pyrazine-κN (4))bis­(thio­cyanato-κN)cobalt(II) 2,5-di­methyl­pyrazine monosolvate Suckert, Stefan Wöhlert, Susanne Jess, Inke Näther, Christian Acta Crystallogr E Crystallogr Commun Data Reports In the crystal structure of the title compound, [Co(NCS)(2)(C(6)H(8)N(2))(2)(H(2)O)(2)]·C(6)H(8)N(2), the Co(II) cation is coordinated by the N atoms of two terminal thio­cyanate anions, the O atoms of two water mol­ecules and two N atoms of two 2,6-di­methyl­pyrazine ligands. The coordination sphere of the resulting discrete complex is that of a slightly distorted octa­hedron. The asymmetric unit comprises a Co(II) cation and half of a 2,5-di­methyl­pyrazine ligand, both of which are located on centres of inversion, and a water ligand, a 2,6-di­­methyl­pyrazine ligand and one thio­cyanate anion in general positions. In the crystal, the discrete complexes are arranged in such a way that cavities are formed in which the 2,5-di­methyl­pyrazine solvent mol­ecules are located. The coordination of the 2,5-di­methyl­pyrazine mol­ecules to the metal is apparently hindered due to the bulky methyl groups in vicinal positions to the N atoms, leading to a preferential coordination of the 2,6-di­methyl­pyrazine ligands. The discrete complexes are linked by O—H⋯N hydrogen bonds between one water H atom and the non-coordinating N atom of the 2,6-di­methyl­pyrazine ligands. The remaining water H atom is hydrogen bonded to one N atom of the 2,5-di­methyl­pyrazine solvent mol­ecule. This arrangement leads to the formation of a two-dimensional network extending parallel to (010). International Union of Crystallography 2015-12-06 /pmc/articles/PMC4719854/ /pubmed/26870445 http://dx.doi.org/10.1107/S2056989015021829 Text en © Suckert 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 Data Reports
Suckert, Stefan
Wöhlert, Susanne
Jess, Inke
Näther, Christian
Crystal structure of di­aqua­bis­(2,6-di­methyl­pyrazine-κN (4))bis­(thio­cyanato-κN)cobalt(II) 2,5-di­methyl­pyrazine monosolvate
title Crystal structure of di­aqua­bis­(2,6-di­methyl­pyrazine-κN (4))bis­(thio­cyanato-κN)cobalt(II) 2,5-di­methyl­pyrazine monosolvate
title_full Crystal structure of di­aqua­bis­(2,6-di­methyl­pyrazine-κN (4))bis­(thio­cyanato-κN)cobalt(II) 2,5-di­methyl­pyrazine monosolvate
title_fullStr Crystal structure of di­aqua­bis­(2,6-di­methyl­pyrazine-κN (4))bis­(thio­cyanato-κN)cobalt(II) 2,5-di­methyl­pyrazine monosolvate
title_full_unstemmed Crystal structure of di­aqua­bis­(2,6-di­methyl­pyrazine-κN (4))bis­(thio­cyanato-κN)cobalt(II) 2,5-di­methyl­pyrazine monosolvate
title_short Crystal structure of di­aqua­bis­(2,6-di­methyl­pyrazine-κN (4))bis­(thio­cyanato-κN)cobalt(II) 2,5-di­methyl­pyrazine monosolvate
title_sort crystal structure of di­aqua­bis­(2,6-di­methyl­pyrazine-κn (4))bis­(thio­cyanato-κn)cobalt(ii) 2,5-di­methyl­pyrazine monosolvate
topic Data Reports
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719854/
https://www.ncbi.nlm.nih.gov/pubmed/26870445
http://dx.doi.org/10.1107/S2056989015021829
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