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Synthesis and crystal structure of diaquabis(hexamethylenetramine-κN)bis(thiocyanato-κN)cobalt(II)–hexamethylenetetramine–acetonitrile (1/2/2)
The crystal structure of the title solvated coordination compound, [Co(NCS)(2)(C(6)H(12)N(4))(2)(H(2)O)(2)]·2C(6)H(12)N(4)·2C(2)H(3)N, consists of discrete complexes in which the Co(2+) cations (site symmetry [Image: see text] ) are sixfold coordinated by two N-bonded thiocyanate anions, two water...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2021
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8587985/ https://www.ncbi.nlm.nih.gov/pubmed/34868640 http://dx.doi.org/10.1107/S2056989021010033 |
Sumario: | The crystal structure of the title solvated coordination compound, [Co(NCS)(2)(C(6)H(12)N(4))(2)(H(2)O)(2)]·2C(6)H(12)N(4)·2C(2)H(3)N, consists of discrete complexes in which the Co(2+) cations (site symmetry [Image: see text] ) are sixfold coordinated by two N-bonded thiocyanate anions, two water molecules and two hexamethylenetetramine (HMT) molecules to generate distorted trans-CoN(4)O(2) octahedra. The discrete complexes are each connected by two HMT solvate molecules into chains via strong O—H⋯N hydrogen bonds. These chains are further linked by additional O—H⋯N and C—H⋯N and C—H⋯S hydrogen bonds into a three-dimensional network. Within this network, channels are formed that propagate along the c-axis direction and in which additional acetonitrile solvent molecules are embedded, which are hydrogen bonded to the network. The CN stretching vibration of the thiocyanate ion occurs at 2062 cm(−1), which is in agreement with the presence of N-bonded anionic ligands. XRPD investigations prove the formation of the title compound as the major phase accompanied by a small amount of a second unknown phase. |
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