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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...
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/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). |
format | Online Article Text |
id | pubmed-4719854 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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