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(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...

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Autores principales: Haezam, Farah Natasha, Awang, Normah, Kamaludin, Nurul Farahana, Jotani, Mukesh M., Tiekink, Edward R. T.
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
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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.
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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
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