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Crystal structures and Hirshfeld surface analyses of (N-hexyl-N-methyldithiocarbamato-κ(2) S,S′)triphenyltin(IV) and [N-methyl-N-(2-phenylethyl)dithiocarbamato-κ(2) S,S′]triphenyltin(IV)
The crystal and molecular structures of two triphenyltin dithiocarbamate compounds, viz. [Sn(C(6)H(5))(3)(C(8)H(16)NS(2))], (I), and [Sn(C(6)H(5))(3)(C(10)H(12)NS(2))], (II), are described. The dithiocarbamate ligand in each molecule coordinates in an asymmetric fashion resulting in heavily...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2018
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947476/ https://www.ncbi.nlm.nih.gov/pubmed/29850080 http://dx.doi.org/10.1107/S2056989018005133 |
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author | Mohamad, Rapidah Awang, Normah Kamaludin, Nurul Farahana Jotani, Mukesh M. Tiekink, Edward R. T. |
author_facet | Mohamad, Rapidah Awang, Normah Kamaludin, Nurul Farahana Jotani, Mukesh M. Tiekink, Edward R. T. |
author_sort | Mohamad, Rapidah |
collection | PubMed |
description | The crystal and molecular structures of two triphenyltin dithiocarbamate compounds, viz. [Sn(C(6)H(5))(3)(C(8)H(16)NS(2))], (I), and [Sn(C(6)H(5))(3)(C(10)H(12)NS(2))], (II), are described. The dithiocarbamate ligand in each molecule coordinates in an asymmetric fashion resulting in heavily distorted tetrahedral C(3)S coordination geometries for the Sn atoms, with the distortions traced to the close approach of the non-coordinating thione-S atom. The molecular packing in both compounds features C—H⋯π(Sn-phenyl) interactions. In (I), the donors are Sn-phenyl-C—H groups leading to centrosymmetric aggregates, while in (II), the donors are both Sn-phenyl-C—H and methyl-C—H groups leading to supramolecular chains propagating along the b axis. The identified aggregates assemble into their respective crystals with no directional interactions between them. An analysis of the Hirshfeld surfaces show distinctive patterns, but an overwhelming predominance (>99% in each case) of H⋯H, C⋯H/H⋯C and S⋯H/H⋯S contacts on the respective Hirshfeld surface. |
format | Online Article Text |
id | pubmed-5947476 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2018 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-59474762018-05-30 Crystal structures and Hirshfeld surface analyses of (N-hexyl-N-methyldithiocarbamato-κ(2) S,S′)triphenyltin(IV) and [N-methyl-N-(2-phenylethyl)dithiocarbamato-κ(2) S,S′]triphenyltin(IV) Mohamad, Rapidah Awang, Normah Kamaludin, Nurul Farahana Jotani, Mukesh M. Tiekink, Edward R. T. Acta Crystallogr E Crystallogr Commun Research Communications The crystal and molecular structures of two triphenyltin dithiocarbamate compounds, viz. [Sn(C(6)H(5))(3)(C(8)H(16)NS(2))], (I), and [Sn(C(6)H(5))(3)(C(10)H(12)NS(2))], (II), are described. The dithiocarbamate ligand in each molecule coordinates in an asymmetric fashion resulting in heavily distorted tetrahedral C(3)S coordination geometries for the Sn atoms, with the distortions traced to the close approach of the non-coordinating thione-S atom. The molecular packing in both compounds features C—H⋯π(Sn-phenyl) interactions. In (I), the donors are Sn-phenyl-C—H groups leading to centrosymmetric aggregates, while in (II), the donors are both Sn-phenyl-C—H and methyl-C—H groups leading to supramolecular chains propagating along the b axis. The identified aggregates assemble into their respective crystals with no directional interactions between them. An analysis of the Hirshfeld surfaces show distinctive patterns, but an overwhelming predominance (>99% in each case) of H⋯H, C⋯H/H⋯C and S⋯H/H⋯S contacts on the respective Hirshfeld surface. International Union of Crystallography 2018-04-06 /pmc/articles/PMC5947476/ /pubmed/29850080 http://dx.doi.org/10.1107/S2056989018005133 Text en © Mohamad et al. 2018 http://creativecommons.org/licenses/by/2.0/uk/ 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/2.0/uk/ |
spellingShingle | Research Communications Mohamad, Rapidah Awang, Normah Kamaludin, Nurul Farahana Jotani, Mukesh M. Tiekink, Edward R. T. Crystal structures and Hirshfeld surface analyses of (N-hexyl-N-methyldithiocarbamato-κ(2) S,S′)triphenyltin(IV) and [N-methyl-N-(2-phenylethyl)dithiocarbamato-κ(2) S,S′]triphenyltin(IV) |
title | Crystal structures and Hirshfeld surface analyses of (N-hexyl-N-methyldithiocarbamato-κ(2)
S,S′)triphenyltin(IV) and [N-methyl-N-(2-phenylethyl)dithiocarbamato-κ(2)
S,S′]triphenyltin(IV) |
title_full | Crystal structures and Hirshfeld surface analyses of (N-hexyl-N-methyldithiocarbamato-κ(2)
S,S′)triphenyltin(IV) and [N-methyl-N-(2-phenylethyl)dithiocarbamato-κ(2)
S,S′]triphenyltin(IV) |
title_fullStr | Crystal structures and Hirshfeld surface analyses of (N-hexyl-N-methyldithiocarbamato-κ(2)
S,S′)triphenyltin(IV) and [N-methyl-N-(2-phenylethyl)dithiocarbamato-κ(2)
S,S′]triphenyltin(IV) |
title_full_unstemmed | Crystal structures and Hirshfeld surface analyses of (N-hexyl-N-methyldithiocarbamato-κ(2)
S,S′)triphenyltin(IV) and [N-methyl-N-(2-phenylethyl)dithiocarbamato-κ(2)
S,S′]triphenyltin(IV) |
title_short | Crystal structures and Hirshfeld surface analyses of (N-hexyl-N-methyldithiocarbamato-κ(2)
S,S′)triphenyltin(IV) and [N-methyl-N-(2-phenylethyl)dithiocarbamato-κ(2)
S,S′]triphenyltin(IV) |
title_sort | crystal structures and hirshfeld surface analyses of (n-hexyl-n-methyldithiocarbamato-κ(2)
s,s′)triphenyltin(iv) and [n-methyl-n-(2-phenylethyl)dithiocarbamato-κ(2)
s,s′]triphenyltin(iv) |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5947476/ https://www.ncbi.nlm.nih.gov/pubmed/29850080 http://dx.doi.org/10.1107/S2056989018005133 |
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