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Crystal structure of bis­(tetra­methyl­thio­urea-κS)bis(thio­cyanato-κN)cobalt(II)

In the course of systematic investigations on the synthesis of Co(NCS)(2) coordination compounds with different thio­urea ligands, the title compound, [Co(NCS)(2)(C(5)H(12)N(2)S)(2)], was obtained. In this compound the Co(II) cations are coordinated by two crystallographically independent N-bonded t...

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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/PMC7405571/
https://www.ncbi.nlm.nih.gov/pubmed/32844033
http://dx.doi.org/10.1107/S205698902001021X
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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 In the course of systematic investigations on the synthesis of Co(NCS)(2) coordination compounds with different thio­urea ligands, the title compound, [Co(NCS)(2)(C(5)H(12)N(2)S)(2)], was obtained. In this compound the Co(II) cations are coordinated by two crystallographically independent N-bonded thio­cyanate anions and two tetra­methyl­thio­urea ligands into discrete complexes that are located in general positions and show a strongly distorted tetra­hedral geometry. Inter­molecular C—H⋯S hydrogen bonds of different strength can be observed between the discrete complexes, which are connected by pairs of hydrogen bonds into zigzag-like chains that elongate in the b-axis direction. These chains are additionally linked by strong C—H⋯S hydrogen bonds along the a-axis direction, resulting in the formation of layers that are parallel to the ab plane. There is also one weak intra­molecular C—H⋯S hydrogen bond between two neighbouring thio­urea ligands within the complexes. Comparison of the experimental PXRD pattern with that calculated from the single-crystal data prove that a pure phase has been obtained. Thermoanalytical investigations reveal that this compound melts at 364 K and decomposes upon further heating.
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spelling pubmed-74055712020-08-24 Crystal structure of bis­(tetra­methyl­thio­urea-κS)bis(thio­cyanato-κN)cobalt(II) Jochim, Aleksej Radulovic, Rastko Jess, Inke Näther, Christian Acta Crystallogr E Crystallogr Commun Research Communications In the course of systematic investigations on the synthesis of Co(NCS)(2) coordination compounds with different thio­urea ligands, the title compound, [Co(NCS)(2)(C(5)H(12)N(2)S)(2)], was obtained. In this compound the Co(II) cations are coordinated by two crystallographically independent N-bonded thio­cyanate anions and two tetra­methyl­thio­urea ligands into discrete complexes that are located in general positions and show a strongly distorted tetra­hedral geometry. Inter­molecular C—H⋯S hydrogen bonds of different strength can be observed between the discrete complexes, which are connected by pairs of hydrogen bonds into zigzag-like chains that elongate in the b-axis direction. These chains are additionally linked by strong C—H⋯S hydrogen bonds along the a-axis direction, resulting in the formation of layers that are parallel to the ab plane. There is also one weak intra­molecular C—H⋯S hydrogen bond between two neighbouring thio­urea ligands within the complexes. Comparison of the experimental PXRD pattern with that calculated from the single-crystal data prove that a pure phase has been obtained. Thermoanalytical investigations reveal that this compound melts at 364 K and decomposes upon further heating. International Union of Crystallography 2020-07-31 /pmc/articles/PMC7405571/ /pubmed/32844033 http://dx.doi.org/10.1107/S205698902001021X 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(tetra­methyl­thio­urea-κS)bis(thio­cyanato-κN)cobalt(II)
title Crystal structure of bis­(tetra­methyl­thio­urea-κS)bis(thio­cyanato-κN)cobalt(II)
title_full Crystal structure of bis­(tetra­methyl­thio­urea-κS)bis(thio­cyanato-κN)cobalt(II)
title_fullStr Crystal structure of bis­(tetra­methyl­thio­urea-κS)bis(thio­cyanato-κN)cobalt(II)
title_full_unstemmed Crystal structure of bis­(tetra­methyl­thio­urea-κS)bis(thio­cyanato-κN)cobalt(II)
title_short Crystal structure of bis­(tetra­methyl­thio­urea-κS)bis(thio­cyanato-κN)cobalt(II)
title_sort crystal structure of bis­(tetra­methyl­thio­urea-κs)bis(thio­cyanato-κn)cobalt(ii)
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7405571/
https://www.ncbi.nlm.nih.gov/pubmed/32844033
http://dx.doi.org/10.1107/S205698902001021X
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