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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 |
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. |
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