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Crystal structure of bis­(N,N′-di­methyl­thio­urea-κS)bis­(thio­cyanato-κN)cobalt(II)

During systematic investigations on the synthesis of coordination polymers with Co(NCS)(2) involving different thio­urea derivatives as coligands, crystals of the title compound Co(NCS)(2)(N,N′-di­methyl­thio­urea)(2), or [Co(C(3)H(8)N(2)S)(2)(NCS)(2)], were obtained. These crystals were non-merohed...

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Autores principales: Jochim, Aleksej, Radulovic, Rastko, Jess, Inke, Näther, Christian
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2020
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7472772/
https://www.ncbi.nlm.nih.gov/pubmed/32939303
http://dx.doi.org/10.1107/S2056989020011111
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author Jochim, Aleksej
Radulovic, Rastko
Jess, Inke
Näther, Christian
author_facet Jochim, Aleksej
Radulovic, Rastko
Jess, Inke
Näther, Christian
author_sort Jochim, Aleksej
collection PubMed
description During systematic investigations on the synthesis of coordination polymers with Co(NCS)(2) involving different thio­urea derivatives as coligands, crystals of the title compound Co(NCS)(2)(N,N′-di­methyl­thio­urea)(2), or [Co(C(3)H(8)N(2)S)(2)(NCS)(2)], were obtained. These crystals were non-merohedric twins and therefore, a twin refinement using data in HKLF-5 format was performed. In the crystal structure of this compound, the Co(II) cations are coordinated by two N-terminally bonded thio­cyanate anions as well as two S-bonding N,N′-di­methyl­thio­urea mol­ecules, forming two crystallographically independent discrete complexes each with a strongly distorted tetra­hedral geometry. An intricate network of inter­molecular N—H⋯S and C—H⋯S hydrogen bonds can be found between the complexes. The thermogravimetric curve of the title compound shows two discrete steps in which all coligand mol­ecules have been emitted, which is also accompanied by partial decomposition of the cobalt thio­cyanate. If the measurement is stopped after the first mass loss, only broad reflections of CoS can be found in the XRPD pattern of the residue, which proves that this compound decomposes completely upon heating. However, at lower temperatures an endothermic signal can be found in the DTA and DSC curve, which corresponds to melting, as proven by thermomicroscopy.
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spelling pubmed-74727722020-09-15 Crystal structure of bis­(N,N′-di­methyl­thio­urea-κS)bis­(thio­cyanato-κN)cobalt(II) Jochim, Aleksej Radulovic, Rastko Jess, Inke Näther, Christian Acta Crystallogr E Crystallogr Commun Research Communications During systematic investigations on the synthesis of coordination polymers with Co(NCS)(2) involving different thio­urea derivatives as coligands, crystals of the title compound Co(NCS)(2)(N,N′-di­methyl­thio­urea)(2), or [Co(C(3)H(8)N(2)S)(2)(NCS)(2)], were obtained. These crystals were non-merohedric twins and therefore, a twin refinement using data in HKLF-5 format was performed. In the crystal structure of this compound, the Co(II) cations are coordinated by two N-terminally bonded thio­cyanate anions as well as two S-bonding N,N′-di­methyl­thio­urea mol­ecules, forming two crystallographically independent discrete complexes each with a strongly distorted tetra­hedral geometry. An intricate network of inter­molecular N—H⋯S and C—H⋯S hydrogen bonds can be found between the complexes. The thermogravimetric curve of the title compound shows two discrete steps in which all coligand mol­ecules have been emitted, which is also accompanied by partial decomposition of the cobalt thio­cyanate. If the measurement is stopped after the first mass loss, only broad reflections of CoS can be found in the XRPD pattern of the residue, which proves that this compound decomposes completely upon heating. However, at lower temperatures an endothermic signal can be found in the DTA and DSC curve, which corresponds to melting, as proven by thermomicroscopy. International Union of Crystallography 2020-08-18 /pmc/articles/PMC7472772/ /pubmed/32939303 http://dx.doi.org/10.1107/S2056989020011111 Text en © Jochim et al. 2020 http://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.http://creativecommons.org/licenses/by/4.0/
spellingShingle Research Communications
Jochim, Aleksej
Radulovic, Rastko
Jess, Inke
Näther, Christian
Crystal structure of bis­(N,N′-di­methyl­thio­urea-κS)bis­(thio­cyanato-κN)cobalt(II)
title Crystal structure of bis­(N,N′-di­methyl­thio­urea-κS)bis­(thio­cyanato-κN)cobalt(II)
title_full Crystal structure of bis­(N,N′-di­methyl­thio­urea-κS)bis­(thio­cyanato-κN)cobalt(II)
title_fullStr Crystal structure of bis­(N,N′-di­methyl­thio­urea-κS)bis­(thio­cyanato-κN)cobalt(II)
title_full_unstemmed Crystal structure of bis­(N,N′-di­methyl­thio­urea-κS)bis­(thio­cyanato-κN)cobalt(II)
title_short Crystal structure of bis­(N,N′-di­methyl­thio­urea-κS)bis­(thio­cyanato-κN)cobalt(II)
title_sort crystal structure of bis­(n,n′-di­methyl­thio­urea-κs)bis­(thio­cyanato-κn)cobalt(ii)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7472772/
https://www.ncbi.nlm.nih.gov/pubmed/32939303
http://dx.doi.org/10.1107/S2056989020011111
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