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(C6H12N4)2(H2O)2]·2C6H12N4·2C2H3N, consists of discrete complexes in which the Co2+ cations (site symmetry \overline{1}) are sixfold coordinated by two N-bonded thiocyanate anions, two water molecules and two hexamethylenete...
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International Union of Crystallography
2021
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oai:doaj.org-article:ebe7535d12c342989cec58c1f9b93b472021-11-12T11:16:09ZSynthesis and crystal structure of diaquabis(hexamethylenetramine-κN)bis(thiocyanato-κN)cobalt(II)–hexamethylenetetramine–acetonitrile (1/2/2)2056-989010.1107/S2056989021010033https://doaj.org/article/ebe7535d12c342989cec58c1f9b93b472021-11-01T00:00:00Zhttp://scripts.iucr.org/cgi-bin/paper?S2056989021010033https://doaj.org/toc/2056-9890The 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 \overline{1}) 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.Christoph KrebsMagdalena CeglarskaChristian NätherInternational Union of Crystallographyarticlecrystal structurecobalt thiocyanatehexamethylenetetraminediscrete complexhydrogen bondingChemistryQD1-999ENActa Crystallographica Section E: Crystallographic Communications, Vol 77, Iss 11, Pp 1082-1086 (2021) |
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DOAJ |
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DOAJ |
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EN |
| topic |
crystal structure cobalt thiocyanate hexamethylenetetramine discrete complex hydrogen bonding Chemistry QD1-999 |
| spellingShingle |
crystal structure cobalt thiocyanate hexamethylenetetramine discrete complex hydrogen bonding Chemistry QD1-999 Christoph Krebs Magdalena Ceglarska Christian Näther Synthesis and crystal structure of diaquabis(hexamethylenetramine-κN)bis(thiocyanato-κN)cobalt(II)–hexamethylenetetramine–acetonitrile (1/2/2) |
| description |
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 \overline{1}) 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. |
| format |
article |
| author |
Christoph Krebs Magdalena Ceglarska Christian Näther |
| author_facet |
Christoph Krebs Magdalena Ceglarska Christian Näther |
| author_sort |
Christoph Krebs |
| title |
Synthesis and crystal structure of diaquabis(hexamethylenetramine-κN)bis(thiocyanato-κN)cobalt(II)–hexamethylenetetramine–acetonitrile (1/2/2) |
| title_short |
Synthesis and crystal structure of diaquabis(hexamethylenetramine-κN)bis(thiocyanato-κN)cobalt(II)–hexamethylenetetramine–acetonitrile (1/2/2) |
| title_full |
Synthesis and crystal structure of diaquabis(hexamethylenetramine-κN)bis(thiocyanato-κN)cobalt(II)–hexamethylenetetramine–acetonitrile (1/2/2) |
| title_fullStr |
Synthesis and crystal structure of diaquabis(hexamethylenetramine-κN)bis(thiocyanato-κN)cobalt(II)–hexamethylenetetramine–acetonitrile (1/2/2) |
| title_full_unstemmed |
Synthesis and crystal structure of diaquabis(hexamethylenetramine-κN)bis(thiocyanato-κN)cobalt(II)–hexamethylenetetramine–acetonitrile (1/2/2) |
| title_sort |
synthesis and crystal structure of diaquabis(hexamethylenetramine-κn)bis(thiocyanato-κn)cobalt(ii)–hexamethylenetetramine–acetonitrile (1/2/2) |
| publisher |
International Union of Crystallography |
| publishDate |
2021 |
| url |
https://doaj.org/article/ebe7535d12c342989cec58c1f9b93b47 |
| work_keys_str_mv |
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| _version_ |
1718430651940601856 |