Synthesis and crystal structure of diaquabis(hexamethylenetramine-κN)bis(thiocyanato-κN)cobalt(II)–hexamethylenetetramine–acetonitrile (1/2/2)
| Autor: | Christoph Krebs, Magdalena Ceglarska, Christian Näther |
|---|---|
| Rok vydání: | 2021 |
| Předmět: |
crystal structure
Nitrile Thio Crystal structure Research Communications Coordination complex chemistry.chemical_compound discrete complex General Materials Science hexamethylenetetramine Ene reaction chemistry.chemical_classification Crystallography biology Hydrogen bond General Chemistry hydrogen bonding Condensed Matter Physics HEXA biology.organism_classification cobalt thiocyanate hexamethylenetetramine chemistry QD901-999 cobalt thiocyanate Tetra |
| Zdroj: | Acta Crystallographica Section E: Crystallographic Communications Acta Crystallographica Section E: Crystallographic Communications, Vol 77, Iss 11, Pp 1082-1086 (2021) |
| ISSN: | 2056-9890 |
| Popis: | The crystal structure of the title compound consists of discrete neutral complexes in which the cobalt cations are octahedrally coordinated by two N-bonded thiocyanate anions, two hexamethylenetetraamine ligands and two water molecules with additional acetonitrile and hexamethylenetetramine solvate molecules, which are hydrogen bonded to the complexes. The crystal structure of the title solvated coordination compound, [Co(NCS)2(C6H12N4)2(H2O)2]·2C6H12N4·2C2H3N, consists of discrete complexes in which the Co2+ cations (site symmetry ) are sixfold coordinated by two N-bonded thiocyanate anions, two water molecules and two hexamethylenetetramine (HMT) molecules to generate distorted trans-CoN4O2 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. |
| Databáze: | OpenAIRE |
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