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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)°...

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Autores principales: Baskaran, A., Rajarajan, K., NizamMohideen, M., Sagayaraj, P.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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.
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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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