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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 |
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author | Krebs, Christoph Ceglarska, Magdalena Näther, Christian |
author_facet | Krebs, Christoph Ceglarska, Magdalena Näther, Christian |
author_sort | Krebs, Christoph |
collection | PubMed |
description | 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. |
format | Online Article Text |
id | pubmed-8587985 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2021 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-85879852021-12-02 Synthesis and crystal structure of diaquabis(hexamethylenetramine-κN)bis(thiocyanato-κN)cobalt(II)–hexamethylenetetramine–acetonitrile (1/2/2) Krebs, Christoph Ceglarska, Magdalena Näther, Christian Acta Crystallogr E Crystallogr Commun Research Communications 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. International Union of Crystallography 2021-10-08 /pmc/articles/PMC8587985/ /pubmed/34868640 http://dx.doi.org/10.1107/S2056989021010033 Text en © Krebs et al. 2021 https://creativecommons.org/licenses/by/4.0/This is an open-access article distributed under the terms of the Creative Commons Attribution (CC-BY) Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Research Communications Krebs, Christoph Ceglarska, Magdalena Näther, Christian Synthesis and crystal structure of diaquabis(hexamethylenetramine-κN)bis(thiocyanato-κN)cobalt(II)–hexamethylenetetramine–acetonitrile (1/2/2) |
title | 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_short | 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) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8587985/ https://www.ncbi.nlm.nih.gov/pubmed/34868640 http://dx.doi.org/10.1107/S2056989021010033 |
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