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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...

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Autores principales: Krebs, Christoph, Ceglarska, Magdalena, Näther, Christian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2021
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.
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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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