Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Poplaukhin, Pavel, Tiekink, Edward R. T.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2017
Materias:
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
_version_ 1783263984839819264
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
work_keys_str_mv AT poplaukhinpavel crystalstructureofbisn2hydroxyethylnmethyldithiocarbamatok2sspyridinezinciipyridinemonosolvateanditsnethylanalogue
AT tiekinkedwardrt crystalstructureofbisn2hydroxyethylnmethyldithiocarbamatok2sspyridinezinciipyridinemonosolvateanditsnethylanalogue