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Bis[N-2-hydroxyethyl,N-methyldithiocarbamato-κ(2) S,S)’-4-{[(pyridin-4-ylmethylidene)hydrazinylidene}methyl]pyridine-κN (1))zinc(II): crystal structure and Hirshfeld surface analysis
In the title compound, [Zn(C(4)H(8)NOS(2))(2)(C(12)H(10)N(4))], the Zn(II) atom exists within a NS(4) donor set defined by two chelating dithiocarbamate ligands and a pyridyl-N atom derived from a terminally bound 4-pyridinealdazine ligand. The distorted coordination geometry tends towards square...
Autores principales: | , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2017
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730295/ https://www.ncbi.nlm.nih.gov/pubmed/29250358 http://dx.doi.org/10.1107/S2056989017012725 |
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author | Broker, Grant A. Jotani, Mukesh M. Tiekink, Edward R. T. |
author_facet | Broker, Grant A. Jotani, Mukesh M. Tiekink, Edward R. T. |
author_sort | Broker, Grant A. |
collection | PubMed |
description | In the title compound, [Zn(C(4)H(8)NOS(2))(2)(C(12)H(10)N(4))], the Zn(II) atom exists within a NS(4) donor set defined by two chelating dithiocarbamate ligands and a pyridyl-N atom derived from a terminally bound 4-pyridinealdazine ligand. The distorted coordination geometry tends towards square-pyramidal with the pyridyl-N atom occupying the apical position. In the crystal, hydroxyl-O—H⋯O(hydroxyl) and hydroxyl-O—H⋯N(pyridyl) hydrogen-bonding give rise to a supramolecular double-chain along [1-10]; methyl-C—H⋯π(chelate ring) interactions help to consolidate the chain. The chains are connected into a three-dimensional architecture via pyridyl-C—H⋯O(hydroxyl) interactions. In addition to the contacts mentioned above, the Hirshfeld surface analysis points to the significance of relatively weak π–π interactions between pyridyl rings [inter-centroid distance = 3.901 (3) Å]. |
format | Online Article Text |
id | pubmed-5730295 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-57302952017-12-15 Bis[N-2-hydroxyethyl,N-methyldithiocarbamato-κ(2) S,S)’-4-{[(pyridin-4-ylmethylidene)hydrazinylidene}methyl]pyridine-κN (1))zinc(II): crystal structure and Hirshfeld surface analysis Broker, Grant A. Jotani, Mukesh M. Tiekink, Edward R. T. Acta Crystallogr E Crystallogr Commun Research Communications In the title compound, [Zn(C(4)H(8)NOS(2))(2)(C(12)H(10)N(4))], the Zn(II) atom exists within a NS(4) donor set defined by two chelating dithiocarbamate ligands and a pyridyl-N atom derived from a terminally bound 4-pyridinealdazine ligand. The distorted coordination geometry tends towards square-pyramidal with the pyridyl-N atom occupying the apical position. In the crystal, hydroxyl-O—H⋯O(hydroxyl) and hydroxyl-O—H⋯N(pyridyl) hydrogen-bonding give rise to a supramolecular double-chain along [1-10]; methyl-C—H⋯π(chelate ring) interactions help to consolidate the chain. The chains are connected into a three-dimensional architecture via pyridyl-C—H⋯O(hydroxyl) interactions. In addition to the contacts mentioned above, the Hirshfeld surface analysis points to the significance of relatively weak π–π interactions between pyridyl rings [inter-centroid distance = 3.901 (3) Å]. International Union of Crystallography 2017-09-15 /pmc/articles/PMC5730295/ /pubmed/29250358 http://dx.doi.org/10.1107/S2056989017012725 Text en © Broker et al. 2017 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 Broker, Grant A. Jotani, Mukesh M. Tiekink, Edward R. T. Bis[N-2-hydroxyethyl,N-methyldithiocarbamato-κ(2) S,S)’-4-{[(pyridin-4-ylmethylidene)hydrazinylidene}methyl]pyridine-κN (1))zinc(II): crystal structure and Hirshfeld surface analysis |
title | Bis[N-2-hydroxyethyl,N-methyldithiocarbamato-κ(2)
S,S)’-4-{[(pyridin-4-ylmethylidene)hydrazinylidene}methyl]pyridine-κN
(1))zinc(II): crystal structure and Hirshfeld surface analysis |
title_full | Bis[N-2-hydroxyethyl,N-methyldithiocarbamato-κ(2)
S,S)’-4-{[(pyridin-4-ylmethylidene)hydrazinylidene}methyl]pyridine-κN
(1))zinc(II): crystal structure and Hirshfeld surface analysis |
title_fullStr | Bis[N-2-hydroxyethyl,N-methyldithiocarbamato-κ(2)
S,S)’-4-{[(pyridin-4-ylmethylidene)hydrazinylidene}methyl]pyridine-κN
(1))zinc(II): crystal structure and Hirshfeld surface analysis |
title_full_unstemmed | Bis[N-2-hydroxyethyl,N-methyldithiocarbamato-κ(2)
S,S)’-4-{[(pyridin-4-ylmethylidene)hydrazinylidene}methyl]pyridine-κN
(1))zinc(II): crystal structure and Hirshfeld surface analysis |
title_short | Bis[N-2-hydroxyethyl,N-methyldithiocarbamato-κ(2)
S,S)’-4-{[(pyridin-4-ylmethylidene)hydrazinylidene}methyl]pyridine-κN
(1))zinc(II): crystal structure and Hirshfeld surface analysis |
title_sort | bis[n-2-hydroxyethyl,n-methyldithiocarbamato-κ(2)
s,s)’-4-{[(pyridin-4-ylmethylidene)hydrazinylidene}methyl]pyridine-κn
(1))zinc(ii): crystal structure and hirshfeld surface analysis |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5730295/ https://www.ncbi.nlm.nih.gov/pubmed/29250358 http://dx.doi.org/10.1107/S2056989017012725 |
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