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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...
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2016
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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. |
format | Online Article Text |
id | pubmed-4770960 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2016 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
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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