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Crystal structure of bis[N-(2-hydroxyethyl)-N-methyldithiocarbamato-κ(2) S,S′](pyridine)zinc(II) pyridine monosolvate and its N-ethyl analogue
The common structural feature of the title compounds, [Zn(C(4)H(8)NOS(2))(2)(C(5)H(5)N)]·C(5)H(5)N (I) and [Zn(C(5)H(10)NOS(2))(2)(C(5)H(5)N)]·C(5)H(5)N (II), which differ by having dithiocarbamate N-bound methyl (I) and ethyl (II) groups, is the coordination of each Zn(II) atom by two non-symmetr...
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Formato: | Online Artículo Texto |
Lenguaje: | English |
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International Union of Crystallography
2017
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Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5598858/ https://www.ncbi.nlm.nih.gov/pubmed/28932446 http://dx.doi.org/10.1107/S2056989017010568 |
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author | Poplaukhin, Pavel Tiekink, Edward R. T. |
author_facet | Poplaukhin, Pavel Tiekink, Edward R. T. |
author_sort | Poplaukhin, Pavel |
collection | PubMed |
description | The common structural feature of the title compounds, [Zn(C(4)H(8)NOS(2))(2)(C(5)H(5)N)]·C(5)H(5)N (I) and [Zn(C(5)H(10)NOS(2))(2)(C(5)H(5)N)]·C(5)H(5)N (II), which differ by having dithiocarbamate N-bound methyl (I) and ethyl (II) groups, is the coordination of each Zn(II) atom by two non-symmetrically chelating dithiocarbamate ligands and by a pyridine ligand; in each case, the non-coordinating pyridine molecule is connected to the Zn-containing molecule via a (hydroxy)O—H⋯N(pyridine) hydrogen bond. The resulting NS(4) coordination geometry is closer to a square-pyramid than a trigonal bipyramid in the case of (I), but almost intermediate between the two extremes in (II). The molecular packing features (hydroxy)O—H⋯O(hydroxy) hydrogen bonds, leading to supramolecular chains with a zigzag arrangement along [10-1] (I) or a helical arrangement along [010] (II). In (I), π–π [inter-centroid distances = 3.4738 (10) and 3.4848 (10) Å] between coordinating and non-coordinating pyridine molecules lead to stacks comprising alternating rings along the a axis. In (II), weaker π–π contacts occur between centrosymmetrically related pairs of coordinating pyridine molecules [inter-centroid separation = 3.9815 (14) Å]. Further interactions, including C—H⋯π(chelate) interactions in (I), lead to a three-dimensional architecture in each case. |
format | Online Article Text |
id | pubmed-5598858 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2017 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-55988582017-09-20 Crystal structure of bis[N-(2-hydroxyethyl)-N-methyldithiocarbamato-κ(2) S,S′](pyridine)zinc(II) pyridine monosolvate and its N-ethyl analogue Poplaukhin, Pavel Tiekink, Edward R. T. Acta Crystallogr E Crystallogr Commun Research Communications The common structural feature of the title compounds, [Zn(C(4)H(8)NOS(2))(2)(C(5)H(5)N)]·C(5)H(5)N (I) and [Zn(C(5)H(10)NOS(2))(2)(C(5)H(5)N)]·C(5)H(5)N (II), which differ by having dithiocarbamate N-bound methyl (I) and ethyl (II) groups, is the coordination of each Zn(II) atom by two non-symmetrically chelating dithiocarbamate ligands and by a pyridine ligand; in each case, the non-coordinating pyridine molecule is connected to the Zn-containing molecule via a (hydroxy)O—H⋯N(pyridine) hydrogen bond. The resulting NS(4) coordination geometry is closer to a square-pyramid than a trigonal bipyramid in the case of (I), but almost intermediate between the two extremes in (II). The molecular packing features (hydroxy)O—H⋯O(hydroxy) hydrogen bonds, leading to supramolecular chains with a zigzag arrangement along [10-1] (I) or a helical arrangement along [010] (II). In (I), π–π [inter-centroid distances = 3.4738 (10) and 3.4848 (10) Å] between coordinating and non-coordinating pyridine molecules lead to stacks comprising alternating rings along the a axis. In (II), weaker π–π contacts occur between centrosymmetrically related pairs of coordinating pyridine molecules [inter-centroid separation = 3.9815 (14) Å]. Further interactions, including C—H⋯π(chelate) interactions in (I), lead to a three-dimensional architecture in each case. International Union of Crystallography 2017-07-21 /pmc/articles/PMC5598858/ /pubmed/28932446 http://dx.doi.org/10.1107/S2056989017010568 Text en © Poplaukhin and Tiekink 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 Poplaukhin, Pavel Tiekink, Edward R. T. Crystal structure of bis[N-(2-hydroxyethyl)-N-methyldithiocarbamato-κ(2) S,S′](pyridine)zinc(II) pyridine monosolvate and its N-ethyl analogue |
title | Crystal structure of bis[N-(2-hydroxyethyl)-N-methyldithiocarbamato-κ(2)
S,S′](pyridine)zinc(II) pyridine monosolvate and its N-ethyl analogue |
title_full | Crystal structure of bis[N-(2-hydroxyethyl)-N-methyldithiocarbamato-κ(2)
S,S′](pyridine)zinc(II) pyridine monosolvate and its N-ethyl analogue |
title_fullStr | Crystal structure of bis[N-(2-hydroxyethyl)-N-methyldithiocarbamato-κ(2)
S,S′](pyridine)zinc(II) pyridine monosolvate and its N-ethyl analogue |
title_full_unstemmed | Crystal structure of bis[N-(2-hydroxyethyl)-N-methyldithiocarbamato-κ(2)
S,S′](pyridine)zinc(II) pyridine monosolvate and its N-ethyl analogue |
title_short | Crystal structure of bis[N-(2-hydroxyethyl)-N-methyldithiocarbamato-κ(2)
S,S′](pyridine)zinc(II) pyridine monosolvate and its N-ethyl analogue |
title_sort | crystal structure of bis[n-(2-hydroxyethyl)-n-methyldithiocarbamato-κ(2)
s,s′](pyridine)zinc(ii) pyridine monosolvate and its n-ethyl analogue |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5598858/ https://www.ncbi.nlm.nih.gov/pubmed/28932446 http://dx.doi.org/10.1107/S2056989017010568 |
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