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Crystal structure of triaqua(2,6-dimethylpyrazine-κN (4))bis(thiocyanato-κN)manganese(II) 2,5-dimethylpyrazine disolvate
In the crystal structure of the title complex, [Mn(NCS)(2)(C(6)H(8)N(2))(H(2)O)(3)]·2C(6)H(8)N(2), the Mn(II) cation is coordinated by two terminally N-bonded thiocyanate anions, three water molecules and one 2,6-dimethylpyrazine ligand within a slightly distorted N(3)O(3) octahedral geometry;...
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/PMC4719844/ https://www.ncbi.nlm.nih.gov/pubmed/26870435 http://dx.doi.org/10.1107/S2056989015020769 |
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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 complex, [Mn(NCS)(2)(C(6)H(8)N(2))(H(2)O)(3)]·2C(6)H(8)N(2), the Mn(II) cation is coordinated by two terminally N-bonded thiocyanate anions, three water molecules and one 2,6-dimethylpyrazine ligand within a slightly distorted N(3)O(3) octahedral geometry; the entire complex molecule is generated by the application of a twofold rotation axis. The asymmetric unit also contains an uncoordinating 2,5-dimethylpyrazine ligand in a general position. Obviously, the coordination to the 2,6-dimethylpyrazine ligand is preferred because coordination to the 2,5-dimethylpyrazine is hindered due to the bulky methyl group proximate to the N atom. The discrete complexes are linked by water-O—H⋯N(2,6-dimethylpyzazine/2,5-dimethylpyzazine) hydrogen bonding, forming a three-dimensional network. In the crystal, molecules are arranged in a way that cavities are formed in which unspecified, disordered solvent molecules reside. These were modelled employing the SQUEEZE routine in PLATON [Spek (2015 ▸). Acta Cryst. C71, 9–18]. The composition of the unit cell does not take into account the presence of the unspecified solvent. |
format | Online Article Text |
id | pubmed-4719844 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-47198442016-02-11 Crystal structure of triaqua(2,6-dimethylpyrazine-κN (4))bis(thiocyanato-κN)manganese(II) 2,5-dimethylpyrazine disolvate Suckert, Stefan Wöhlert, Susanne Jess, Inke Näther, Christian Acta Crystallogr E Crystallogr Commun Data Reports In the crystal structure of the title complex, [Mn(NCS)(2)(C(6)H(8)N(2))(H(2)O)(3)]·2C(6)H(8)N(2), the Mn(II) cation is coordinated by two terminally N-bonded thiocyanate anions, three water molecules and one 2,6-dimethylpyrazine ligand within a slightly distorted N(3)O(3) octahedral geometry; the entire complex molecule is generated by the application of a twofold rotation axis. The asymmetric unit also contains an uncoordinating 2,5-dimethylpyrazine ligand in a general position. Obviously, the coordination to the 2,6-dimethylpyrazine ligand is preferred because coordination to the 2,5-dimethylpyrazine is hindered due to the bulky methyl group proximate to the N atom. The discrete complexes are linked by water-O—H⋯N(2,6-dimethylpyzazine/2,5-dimethylpyzazine) hydrogen bonding, forming a three-dimensional network. In the crystal, molecules are arranged in a way that cavities are formed in which unspecified, disordered solvent molecules reside. These were modelled employing the SQUEEZE routine in PLATON [Spek (2015 ▸). Acta Cryst. C71, 9–18]. The composition of the unit cell does not take into account the presence of the unspecified solvent. International Union of Crystallography 2015-11-18 /pmc/articles/PMC4719844/ /pubmed/26870435 http://dx.doi.org/10.1107/S2056989015020769 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 triaqua(2,6-dimethylpyrazine-κN (4))bis(thiocyanato-κN)manganese(II) 2,5-dimethylpyrazine disolvate |
title | Crystal structure of triaqua(2,6-dimethylpyrazine-κN
(4))bis(thiocyanato-κN)manganese(II) 2,5-dimethylpyrazine disolvate |
title_full | Crystal structure of triaqua(2,6-dimethylpyrazine-κN
(4))bis(thiocyanato-κN)manganese(II) 2,5-dimethylpyrazine disolvate |
title_fullStr | Crystal structure of triaqua(2,6-dimethylpyrazine-κN
(4))bis(thiocyanato-κN)manganese(II) 2,5-dimethylpyrazine disolvate |
title_full_unstemmed | Crystal structure of triaqua(2,6-dimethylpyrazine-κN
(4))bis(thiocyanato-κN)manganese(II) 2,5-dimethylpyrazine disolvate |
title_short | Crystal structure of triaqua(2,6-dimethylpyrazine-κN
(4))bis(thiocyanato-κN)manganese(II) 2,5-dimethylpyrazine disolvate |
title_sort | crystal structure of triaqua(2,6-dimethylpyrazine-κn
(4))bis(thiocyanato-κn)manganese(ii) 2,5-dimethylpyrazine disolvate |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719844/ https://www.ncbi.nlm.nih.gov/pubmed/26870435 http://dx.doi.org/10.1107/S2056989015020769 |
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