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Crystal structure of the co-crystal fac-triaquatris(thiocyanato-κN)iron(III)–2,3-dimethylpyrazine (1/3)
In the crystal of the title compound, [Fe(NCS)(3)(H(2)O)(3)]·3C(6)H(8)N(2), the Fe(III) cation is located on a threefold rotation axis and is coordinated by three N atoms of the thiocyanate anions and three water molecules in a fac arrangement, forming a slightly distorted N(3)O(3) octahedron. Sta...
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/PMC4438839/ https://www.ncbi.nlm.nih.gov/pubmed/26029394 http://dx.doi.org/10.1107/S2056989015004831 |
Sumario: | In the crystal of the title compound, [Fe(NCS)(3)(H(2)O)(3)]·3C(6)H(8)N(2), the Fe(III) cation is located on a threefold rotation axis and is coordinated by three N atoms of the thiocyanate anions and three water molecules in a fac arrangement, forming a slightly distorted N(3)O(3) octahedron. Stabilization within the crystal structure is provided by O—H⋯N hydrogen bonds; the H atoms from coordinating water molecules act as donors to the N atoms of guest 2,3-dimethylpyrazine molecules, leading to a three-dimensional supramolecular framework. |
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