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Crystal structure of di­ethano­lbis(thio­cyanato)­bis(urotropine)cobalt(II) and tetra­ethano­lbis(thio­cyanato)­cobalt(II)–urotropine (1/2)

The reaction of one equivalent Co(NCS)(2) with four equivalents of urotropine (hexa­methyl­ene­tetra­mine) in ethanol leads to the formation of two compounds, namely, bis­(ethanol-κO)bis­(thio­cyanato-κN)bis­(urotropine-κN)cobalt(II), [Co(NCS)(2)(C(6)H(12)N(4))(2)(C(2)H(6)O)(2)] (1), and tetra­kis­(...

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Autores principales: Krebs, Christoph, Jess, Inke, Ceglarska, Magdalena, Näther, Christian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2022
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8739191/
https://www.ncbi.nlm.nih.gov/pubmed/35079427
http://dx.doi.org/10.1107/S2056989021013281
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author Krebs, Christoph
Jess, Inke
Ceglarska, Magdalena
Näther, Christian
author_facet Krebs, Christoph
Jess, Inke
Ceglarska, Magdalena
Näther, Christian
author_sort Krebs, Christoph
collection PubMed
description The reaction of one equivalent Co(NCS)(2) with four equivalents of urotropine (hexa­methyl­ene­tetra­mine) in ethanol leads to the formation of two compounds, namely, bis­(ethanol-κO)bis­(thio­cyanato-κN)bis­(urotropine-κN)cobalt(II), [Co(NCS)(2)(C(6)H(12)N(4))(2)(C(2)H(6)O)(2)] (1), and tetra­kis­(ethanol-κO)bis­(thio­cyanato-κN)cobalt(II)–urotropine (1/2), [Co(NCS)(2)(C(2)H(6)O)(4)]·2C(6)H(12)N(4) (2). In 1, the Co cations are located on centers of inversion and are sixfold coordinated by two terminal N-bonded thio­cyanate anions, two ethanol and two urotropine ligands whereas in 2 the cobalt cations occupy position Wyckoff position c and are sixfold coordinated by two anionic ligands and four ethanol ligands. Compound 2 contains two additional urotropine solvate mol­ecules per formula unit, which are hydrogen bonded to the complexes. In both compounds, the building blocks are connected via inter­molecular O—H⋯N (1 and 2) and C—H⋯S (1) hydrogen bonding to form three-dimensional networks.
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spelling pubmed-87391912022-01-24 Crystal structure of di­ethano­lbis(thio­cyanato)­bis(urotropine)cobalt(II) and tetra­ethano­lbis(thio­cyanato)­cobalt(II)–urotropine (1/2) Krebs, Christoph Jess, Inke Ceglarska, Magdalena Näther, Christian Acta Crystallogr E Crystallogr Commun Research Communications The reaction of one equivalent Co(NCS)(2) with four equivalents of urotropine (hexa­methyl­ene­tetra­mine) in ethanol leads to the formation of two compounds, namely, bis­(ethanol-κO)bis­(thio­cyanato-κN)bis­(urotropine-κN)cobalt(II), [Co(NCS)(2)(C(6)H(12)N(4))(2)(C(2)H(6)O)(2)] (1), and tetra­kis­(ethanol-κO)bis­(thio­cyanato-κN)cobalt(II)–urotropine (1/2), [Co(NCS)(2)(C(2)H(6)O)(4)]·2C(6)H(12)N(4) (2). In 1, the Co cations are located on centers of inversion and are sixfold coordinated by two terminal N-bonded thio­cyanate anions, two ethanol and two urotropine ligands whereas in 2 the cobalt cations occupy position Wyckoff position c and are sixfold coordinated by two anionic ligands and four ethanol ligands. Compound 2 contains two additional urotropine solvate mol­ecules per formula unit, which are hydrogen bonded to the complexes. In both compounds, the building blocks are connected via inter­molecular O—H⋯N (1 and 2) and C—H⋯S (1) hydrogen bonding to form three-dimensional networks. International Union of Crystallography 2022-01-01 /pmc/articles/PMC8739191/ /pubmed/35079427 http://dx.doi.org/10.1107/S2056989021013281 Text en © Krebs et al. 2022 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
Jess, Inke
Ceglarska, Magdalena
Näther, Christian
Crystal structure of di­ethano­lbis(thio­cyanato)­bis(urotropine)cobalt(II) and tetra­ethano­lbis(thio­cyanato)­cobalt(II)–urotropine (1/2)
title Crystal structure of di­ethano­lbis(thio­cyanato)­bis(urotropine)cobalt(II) and tetra­ethano­lbis(thio­cyanato)­cobalt(II)–urotropine (1/2)
title_full Crystal structure of di­ethano­lbis(thio­cyanato)­bis(urotropine)cobalt(II) and tetra­ethano­lbis(thio­cyanato)­cobalt(II)–urotropine (1/2)
title_fullStr Crystal structure of di­ethano­lbis(thio­cyanato)­bis(urotropine)cobalt(II) and tetra­ethano­lbis(thio­cyanato)­cobalt(II)–urotropine (1/2)
title_full_unstemmed Crystal structure of di­ethano­lbis(thio­cyanato)­bis(urotropine)cobalt(II) and tetra­ethano­lbis(thio­cyanato)­cobalt(II)–urotropine (1/2)
title_short Crystal structure of di­ethano­lbis(thio­cyanato)­bis(urotropine)cobalt(II) and tetra­ethano­lbis(thio­cyanato)­cobalt(II)–urotropine (1/2)
title_sort crystal structure of di­ethano­lbis(thio­cyanato)­bis(urotropine)cobalt(ii) and tetra­ethano­lbis(thio­cyanato)­cobalt(ii)–urotropine (1/2)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC8739191/
https://www.ncbi.nlm.nih.gov/pubmed/35079427
http://dx.doi.org/10.1107/S2056989021013281
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