Cargando…
(N,N-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study
The crystal and molecular structures of the title triorganotin dithiocarbamate, [Sn(C(6)H(5))(3)(C(7)H(14)NS(2))], are described. The molecular geometry about the metal atom is highly distorted being based on a C(3)S tetrahedron as the dithiocarbamate ligand is asymmetrically chelating to the...
Autores principales: | , , , , |
---|---|
Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2019
|
Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6775739/ https://www.ncbi.nlm.nih.gov/pubmed/31636979 http://dx.doi.org/10.1107/S2056989019012490 |
_version_ | 1783456314808074240 |
---|---|
author | Haezam, Farah Natasha Awang, Normah Kamaludin, Nurul Farahana Jotani, Mukesh M. Tiekink, Edward R. T. |
author_facet | Haezam, Farah Natasha Awang, Normah Kamaludin, Nurul Farahana Jotani, Mukesh M. Tiekink, Edward R. T. |
author_sort | Haezam, Farah Natasha |
collection | PubMed |
description | The crystal and molecular structures of the title triorganotin dithiocarbamate, [Sn(C(6)H(5))(3)(C(7)H(14)NS(2))], are described. The molecular geometry about the metal atom is highly distorted being based on a C(3)S tetrahedron as the dithiocarbamate ligand is asymmetrically chelating to the tin centre. The close approach of the second thione-S atom [Sn⋯S = 2.9264 (4) Å] is largely responsible for the distortion. The molecular packing is almost devoid of directional interactions with only weak phenyl-C—H⋯C(phenyl) interactions, leading to centrosymmetric dimeric aggregates, being noted. An analysis of the calculated Hirshfeld surface points to the significance of H⋯H contacts, which contribute 66.6% of all contacts to the surface, with C⋯H/H⋯C [26.8%] and S⋯H/H⋯H [6.6%] contacts making up the balance. |
format | Online Article Text |
id | pubmed-6775739 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2019 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-67757392019-10-21 (N,N-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study Haezam, Farah Natasha 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 the title triorganotin dithiocarbamate, [Sn(C(6)H(5))(3)(C(7)H(14)NS(2))], are described. The molecular geometry about the metal atom is highly distorted being based on a C(3)S tetrahedron as the dithiocarbamate ligand is asymmetrically chelating to the tin centre. The close approach of the second thione-S atom [Sn⋯S = 2.9264 (4) Å] is largely responsible for the distortion. The molecular packing is almost devoid of directional interactions with only weak phenyl-C—H⋯C(phenyl) interactions, leading to centrosymmetric dimeric aggregates, being noted. An analysis of the calculated Hirshfeld surface points to the significance of H⋯H contacts, which contribute 66.6% of all contacts to the surface, with C⋯H/H⋯C [26.8%] and S⋯H/H⋯H [6.6%] contacts making up the balance. International Union of Crystallography 2019-09-12 /pmc/articles/PMC6775739/ /pubmed/31636979 http://dx.doi.org/10.1107/S2056989019012490 Text en © Haezam et al. 2019 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 Haezam, Farah Natasha Awang, Normah Kamaludin, Nurul Farahana Jotani, Mukesh M. Tiekink, Edward R. T. (N,N-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study |
title | (N,N-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study |
title_full | (N,N-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study |
title_fullStr | (N,N-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study |
title_full_unstemmed | (N,N-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study |
title_short | (N,N-Diisopropyldithiocarbamato)triphenyltin(IV): crystal structure, Hirshfeld surface analysis and computational study |
title_sort | (n,n-diisopropyldithiocarbamato)triphenyltin(iv): crystal structure, hirshfeld surface analysis and computational study |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC6775739/ https://www.ncbi.nlm.nih.gov/pubmed/31636979 http://dx.doi.org/10.1107/S2056989019012490 |
work_keys_str_mv | AT haezamfarahnatasha nndiisopropyldithiocarbamatotriphenyltinivcrystalstructurehirshfeldsurfaceanalysisandcomputationalstudy AT awangnormah nndiisopropyldithiocarbamatotriphenyltinivcrystalstructurehirshfeldsurfaceanalysisandcomputationalstudy AT kamaludinnurulfarahana nndiisopropyldithiocarbamatotriphenyltinivcrystalstructurehirshfeldsurfaceanalysisandcomputationalstudy AT jotanimukeshm nndiisopropyldithiocarbamatotriphenyltinivcrystalstructurehirshfeldsurfaceanalysisandcomputationalstudy AT tiekinkedwardrt nndiisopropyldithiocarbamatotriphenyltinivcrystalstructurehirshfeldsurfaceanalysisandcomputationalstudy |