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Bis[N-(2-hy­droxy­eth­yl)-N-iso­propyl­dithio­carbamato-κ(2) S,S′](piperazine-κN)cadmium: crystal structure and Hirshfeld surface analysis

The title compound, [Cd(C(6)H(12)NOS(2))(2)(C(4)H(10)N(2))], features a distorted square-pyramidal coordination geometry about the central Cd(II) atom. The di­thio­carbamate ligands are chelating, forming similar Cd—S bond lengths and define the approximate basal plane. One of the N atoms of the pip...

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Autores principales: Safbri, Siti Artikah M., Halim, Siti Nadiah Abdul, Jotani, Mukesh M., Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2016
Materias:
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4770960/
https://www.ncbi.nlm.nih.gov/pubmed/26958378
http://dx.doi.org/10.1107/S2056989016000165
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author Safbri, Siti Artikah M.
Halim, Siti Nadiah Abdul
Jotani, Mukesh M.
Tiekink, Edward R. T.
author_facet Safbri, Siti Artikah M.
Halim, Siti Nadiah Abdul
Jotani, Mukesh M.
Tiekink, Edward R. T.
author_sort Safbri, Siti Artikah M.
collection PubMed
description The title compound, [Cd(C(6)H(12)NOS(2))(2)(C(4)H(10)N(2))], features a distorted square-pyramidal coordination geometry about the central Cd(II) atom. The di­thio­carbamate ligands are chelating, forming similar Cd—S bond lengths and define the approximate basal plane. One of the N atoms of the piperazine mol­ecule, which adopts a chair conformation, occupies the apical site. In the crystal, supra­molecular layers propagating in the ac plane are formed via hy­droxy-O—H⋯O(hy­droxy), hy­droxy-O—H⋯N(terminal-piperazine) and coordinated-piperazine-N—H⋯O(hy­droxy) hydrogen bonds; the layers also feature methine-C—H⋯S inter­actions and S⋯S [3.3714 (10) Å] short contacts. The layers stack along the b-axis direction with very weak terminal-piperazine-N—H⋯O(hy­droxy) inter­actions between them. An evaluation of the Hirshfeld surfaces confirms the importance of inter­molecular inter­actions involving oxygen and sulfur atoms.
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spelling pubmed-47709602016-03-08 Bis[N-(2-hy­droxy­eth­yl)-N-iso­propyl­dithio­carbamato-κ(2) S,S′](piperazine-κN)cadmium: crystal structure and Hirshfeld surface analysis Safbri, Siti Artikah M. Halim, Siti Nadiah Abdul Jotani, Mukesh M. Tiekink, Edward R. T. Acta Crystallogr E Crystallogr Commun Research Communications The title compound, [Cd(C(6)H(12)NOS(2))(2)(C(4)H(10)N(2))], features a distorted square-pyramidal coordination geometry about the central Cd(II) atom. The di­thio­carbamate ligands are chelating, forming similar Cd—S bond lengths and define the approximate basal plane. One of the N atoms of the piperazine mol­ecule, which adopts a chair conformation, occupies the apical site. In the crystal, supra­molecular layers propagating in the ac plane are formed via hy­droxy-O—H⋯O(hy­droxy), hy­droxy-O—H⋯N(terminal-piperazine) and coordinated-piperazine-N—H⋯O(hy­droxy) hydrogen bonds; the layers also feature methine-C—H⋯S inter­actions and S⋯S [3.3714 (10) Å] short contacts. The layers stack along the b-axis direction with very weak terminal-piperazine-N—H⋯O(hy­droxy) inter­actions between them. An evaluation of the Hirshfeld surfaces confirms the importance of inter­molecular inter­actions involving oxygen and sulfur atoms. International Union of Crystallography 2016-01-13 /pmc/articles/PMC4770960/ /pubmed/26958378 http://dx.doi.org/10.1107/S2056989016000165 Text en © Safbri et al. 2016 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 Research Communications
Safbri, Siti Artikah M.
Halim, Siti Nadiah Abdul
Jotani, Mukesh M.
Tiekink, Edward R. T.
Bis[N-(2-hy­droxy­eth­yl)-N-iso­propyl­dithio­carbamato-κ(2) S,S′](piperazine-κN)cadmium: crystal structure and Hirshfeld surface analysis
title Bis[N-(2-hy­droxy­eth­yl)-N-iso­propyl­dithio­carbamato-κ(2) S,S′](piperazine-κN)cadmium: crystal structure and Hirshfeld surface analysis
title_full Bis[N-(2-hy­droxy­eth­yl)-N-iso­propyl­dithio­carbamato-κ(2) S,S′](piperazine-κN)cadmium: crystal structure and Hirshfeld surface analysis
title_fullStr Bis[N-(2-hy­droxy­eth­yl)-N-iso­propyl­dithio­carbamato-κ(2) S,S′](piperazine-κN)cadmium: crystal structure and Hirshfeld surface analysis
title_full_unstemmed Bis[N-(2-hy­droxy­eth­yl)-N-iso­propyl­dithio­carbamato-κ(2) S,S′](piperazine-κN)cadmium: crystal structure and Hirshfeld surface analysis
title_short Bis[N-(2-hy­droxy­eth­yl)-N-iso­propyl­dithio­carbamato-κ(2) S,S′](piperazine-κN)cadmium: crystal structure and Hirshfeld surface analysis
title_sort bis[n-(2-hy­droxy­eth­yl)-n-iso­propyl­dithio­carbamato-κ(2) s,s′](piperazine-κn)cadmium: crystal structure and hirshfeld surface analysis
topic Research Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4770960/
https://www.ncbi.nlm.nih.gov/pubmed/26958378
http://dx.doi.org/10.1107/S2056989016000165
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