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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;...

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Detalles Bibliográficos
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/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.
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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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