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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2020
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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. |
format | Online Article Text |
id | pubmed-7405571 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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