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Crystal structure of bis(thiocyanato-κS)bis(thiourea-κS)mercury(II)
In the title complex, [Hg(NCS)(2)(CH(4)N(2)S)(2)], the Hg(II) atom is four-coordinated having an irregular four-coordinate geometry composed of four thione S atoms of two thiocyanate groups and two thiourea groups. The S—Hg—S angles are 172.02 (9)° for the trans-thiocyanate S atoms and 90.14 (5)°...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384628/ https://www.ncbi.nlm.nih.gov/pubmed/25878839 http://dx.doi.org/10.1107/S2056989015000584 |
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author | Baskaran, A. Rajarajan, K. NizamMohideen, M. Sagayaraj, P. |
author_facet | Baskaran, A. Rajarajan, K. NizamMohideen, M. Sagayaraj, P. |
author_sort | Baskaran, A. |
collection | PubMed |
description | In the title complex, [Hg(NCS)(2)(CH(4)N(2)S)(2)], the Hg(II) atom is four-coordinated having an irregular four-coordinate geometry composed of four thione S atoms of two thiocyanate groups and two thiourea groups. The S—Hg—S angles are 172.02 (9)° for the trans-thiocyanate S atoms and 90.14 (5)° for the cis-thiourea S atoms. The molecular structure is stabilized by an intramolecular N—H⋯S hydrogen bond, which forms an S(6) ring motif. In the crystal, molecules are linked by a number of N—H⋯N and N—H⋯S hydrogen bonds, forming a three-dimensional framework. The first report of the crystal structure of this compound appeared in 1966 [Korczynski (1966 ▸). Rocz. Chem. 40, 547–569] with an extremely high R factor of 17.2%, and no mention of how the data were collected. |
format | Online Article Text |
id | pubmed-4384628 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-43846282015-04-15 Crystal structure of bis(thiocyanato-κS)bis(thiourea-κS)mercury(II) Baskaran, A. Rajarajan, K. NizamMohideen, M. Sagayaraj, P. Acta Crystallogr E Crystallogr Commun Data Reports In the title complex, [Hg(NCS)(2)(CH(4)N(2)S)(2)], the Hg(II) atom is four-coordinated having an irregular four-coordinate geometry composed of four thione S atoms of two thiocyanate groups and two thiourea groups. The S—Hg—S angles are 172.02 (9)° for the trans-thiocyanate S atoms and 90.14 (5)° for the cis-thiourea S atoms. The molecular structure is stabilized by an intramolecular N—H⋯S hydrogen bond, which forms an S(6) ring motif. In the crystal, molecules are linked by a number of N—H⋯N and N—H⋯S hydrogen bonds, forming a three-dimensional framework. The first report of the crystal structure of this compound appeared in 1966 [Korczynski (1966 ▸). Rocz. Chem. 40, 547–569] with an extremely high R factor of 17.2%, and no mention of how the data were collected. International Union of Crystallography 2015-01-17 /pmc/articles/PMC4384628/ /pubmed/25878839 http://dx.doi.org/10.1107/S2056989015000584 Text en © Baskaran et al. 2015 http://creativecommons.org/licenses/by/2.0/uk/ This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited. |
spellingShingle | Data Reports Baskaran, A. Rajarajan, K. NizamMohideen, M. Sagayaraj, P. Crystal structure of bis(thiocyanato-κS)bis(thiourea-κS)mercury(II) |
title | Crystal structure of bis(thiocyanato-κS)bis(thiourea-κS)mercury(II) |
title_full | Crystal structure of bis(thiocyanato-κS)bis(thiourea-κS)mercury(II) |
title_fullStr | Crystal structure of bis(thiocyanato-κS)bis(thiourea-κS)mercury(II) |
title_full_unstemmed | Crystal structure of bis(thiocyanato-κS)bis(thiourea-κS)mercury(II) |
title_short | Crystal structure of bis(thiocyanato-κS)bis(thiourea-κS)mercury(II) |
title_sort | crystal structure of bis(thiocyanato-κs)bis(thiourea-κs)mercury(ii) |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4384628/ https://www.ncbi.nlm.nih.gov/pubmed/25878839 http://dx.doi.org/10.1107/S2056989015000584 |
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