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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
Descripción
Sumario: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.