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Crystal structure of dichloridobis(1,3-diisopropyl-4,5-dimethyl-2H-imidazole-2-thione-κS)zinc(II)
The molecular structure of the title compound, [ZnCl(2)(C(11)H(20)N(2)S)(2)], shows tetrahedral Zn coordination from two Cl ligands and two thione groups. The Zn—Cl bond lengths differ sligthly at 2.2310 (10) and 2.2396 (11) Å while the Zn—S bond lengths are equal at 2.3663 (9) and 2.3701 (10) Å....
Autores principales: | , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2014
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257301/ https://www.ncbi.nlm.nih.gov/pubmed/25484787 http://dx.doi.org/10.1107/S1600536814023642 |
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author | Flörke, Ulrich Ahmida, Aziza Egold, Hans Henkel, Gerald |
author_facet | Flörke, Ulrich Ahmida, Aziza Egold, Hans Henkel, Gerald |
author_sort | Flörke, Ulrich |
collection | PubMed |
description | The molecular structure of the title compound, [ZnCl(2)(C(11)H(20)N(2)S)(2)], shows tetrahedral Zn coordination from two Cl ligands and two thione groups. The Zn—Cl bond lengths differ sligthly at 2.2310 (10) and 2.2396 (11) Å while the Zn—S bond lengths are equal at 2.3663 (9) and 2.3701 (10) Å. The Cl—Zn—Cl angle is 116.04 (4) and S—Zn—S is 101.98 (3)°. All other angles at the central Zn atom range from 108.108 (3) to 110.21 (4)°. The C—S—Zn angles are 100.75 (10) and 103.68 (11)°, the difference most probably resulting from packing effects, as both the C—S and both the S—Zn bonds are equal in each case. The two imidazole ring planes make a dihedral angle of 67.9 (1)°. The CH(3) groups of one isopropyl moiety are disordered over two sets of sites with occupation factors of 0.567 (15) and 0.433 (15). It may be noteworthy that the isomolecular Cu complex shows a different crystal packing (group–subgroup relation) with the Cu atom lying on a twofold rotation axis. In the crystal, the shortest non-bonding contact is a C—H⋯Cl interaction. This leads to the formation of centrosymmetric dimers that are stacked along the c-axis. |
format | Online Article Text |
id | pubmed-4257301 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2014 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-42573012014-12-05 Crystal structure of dichloridobis(1,3-diisopropyl-4,5-dimethyl-2H-imidazole-2-thione-κS)zinc(II) Flörke, Ulrich Ahmida, Aziza Egold, Hans Henkel, Gerald Acta Crystallogr Sect E Struct Rep Online Data Reports The molecular structure of the title compound, [ZnCl(2)(C(11)H(20)N(2)S)(2)], shows tetrahedral Zn coordination from two Cl ligands and two thione groups. The Zn—Cl bond lengths differ sligthly at 2.2310 (10) and 2.2396 (11) Å while the Zn—S bond lengths are equal at 2.3663 (9) and 2.3701 (10) Å. The Cl—Zn—Cl angle is 116.04 (4) and S—Zn—S is 101.98 (3)°. All other angles at the central Zn atom range from 108.108 (3) to 110.21 (4)°. The C—S—Zn angles are 100.75 (10) and 103.68 (11)°, the difference most probably resulting from packing effects, as both the C—S and both the S—Zn bonds are equal in each case. The two imidazole ring planes make a dihedral angle of 67.9 (1)°. The CH(3) groups of one isopropyl moiety are disordered over two sets of sites with occupation factors of 0.567 (15) and 0.433 (15). It may be noteworthy that the isomolecular Cu complex shows a different crystal packing (group–subgroup relation) with the Cu atom lying on a twofold rotation axis. In the crystal, the shortest non-bonding contact is a C—H⋯Cl interaction. This leads to the formation of centrosymmetric dimers that are stacked along the c-axis. International Union of Crystallography 2014-10-31 /pmc/articles/PMC4257301/ /pubmed/25484787 http://dx.doi.org/10.1107/S1600536814023642 Text en © Flörke et al. 2014 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 | Data Reports Flörke, Ulrich Ahmida, Aziza Egold, Hans Henkel, Gerald Crystal structure of dichloridobis(1,3-diisopropyl-4,5-dimethyl-2H-imidazole-2-thione-κS)zinc(II) |
title | Crystal structure of dichloridobis(1,3-diisopropyl-4,5-dimethyl-2H-imidazole-2-thione-κS)zinc(II) |
title_full | Crystal structure of dichloridobis(1,3-diisopropyl-4,5-dimethyl-2H-imidazole-2-thione-κS)zinc(II) |
title_fullStr | Crystal structure of dichloridobis(1,3-diisopropyl-4,5-dimethyl-2H-imidazole-2-thione-κS)zinc(II) |
title_full_unstemmed | Crystal structure of dichloridobis(1,3-diisopropyl-4,5-dimethyl-2H-imidazole-2-thione-κS)zinc(II) |
title_short | Crystal structure of dichloridobis(1,3-diisopropyl-4,5-dimethyl-2H-imidazole-2-thione-κS)zinc(II) |
title_sort | crystal structure of dichloridobis(1,3-diisopropyl-4,5-dimethyl-2h-imidazole-2-thione-κs)zinc(ii) |
topic | Data Reports |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4257301/ https://www.ncbi.nlm.nih.gov/pubmed/25484787 http://dx.doi.org/10.1107/S1600536814023642 |
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