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Crystal structure of dichloridobis(1,3-diazinane-2-thione-κS)cadmium
In the structure of the title compound, [CdCl(2)(C(4)H(8)N(2)S)(2)], the Cd(II) atom is coordinated by two chloride ions and two 1,3-diazinane-2-thione (Diaz) molecules through their S atoms. The geometry around the Cd(II) atom is distorted tetrahedral, with bond angles in the range 101.55 (7)–117...
Autores principales: | , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
International Union of Crystallography
2015
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719821/ https://www.ncbi.nlm.nih.gov/pubmed/26870412 http://dx.doi.org/10.1107/S205698901502109X |
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author | Naz, Ghazala Tahir, Muhammad Nawaz Ahmad, Saeed Isab, Anvarhusein A. Fettouhi, Mohammed |
author_facet | Naz, Ghazala Tahir, Muhammad Nawaz Ahmad, Saeed Isab, Anvarhusein A. Fettouhi, Mohammed |
author_sort | Naz, Ghazala |
collection | PubMed |
description | In the structure of the title compound, [CdCl(2)(C(4)H(8)N(2)S)(2)], the Cd(II) atom is coordinated by two chloride ions and two 1,3-diazinane-2-thione (Diaz) molecules through their S atoms. The geometry around the Cd(II) atom is distorted tetrahedral, with bond angles in the range 101.55 (7)–117.91 (8)°. The CH(2) groups of one Diaz ligand are disordered over two sets of sites with an occupancy ratio of 0.711 (12):0.289 (12). The molecular structure is stabilized by intramolecular N—H⋯Cl hydrogen-bonding interactions, generating a butterfly syn conformation. Intermolecular N—H⋯Cl and N—H⋯S interactions lead to the formation of a three-dimensional network structure. The structure has been determined from a crystal twinned by nonmerohedry, by a 180° rotation around the reciprocal c axis. The twin ratio refined to 0.8866 (6):0.1134 (6). |
format | Online Article Text |
id | pubmed-4719821 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2015 |
publisher | International Union of Crystallography |
record_format | MEDLINE/PubMed |
spelling | pubmed-47198212016-02-11 Crystal structure of dichloridobis(1,3-diazinane-2-thione-κS)cadmium Naz, Ghazala Tahir, Muhammad Nawaz Ahmad, Saeed Isab, Anvarhusein A. Fettouhi, Mohammed Acta Crystallogr E Crystallogr Commun Research Communications In the structure of the title compound, [CdCl(2)(C(4)H(8)N(2)S)(2)], the Cd(II) atom is coordinated by two chloride ions and two 1,3-diazinane-2-thione (Diaz) molecules through their S atoms. The geometry around the Cd(II) atom is distorted tetrahedral, with bond angles in the range 101.55 (7)–117.91 (8)°. The CH(2) groups of one Diaz ligand are disordered over two sets of sites with an occupancy ratio of 0.711 (12):0.289 (12). The molecular structure is stabilized by intramolecular N—H⋯Cl hydrogen-bonding interactions, generating a butterfly syn conformation. Intermolecular N—H⋯Cl and N—H⋯S interactions lead to the formation of a three-dimensional network structure. The structure has been determined from a crystal twinned by nonmerohedry, by a 180° rotation around the reciprocal c axis. The twin ratio refined to 0.8866 (6):0.1134 (6). International Union of Crystallography 2015-11-14 /pmc/articles/PMC4719821/ /pubmed/26870412 http://dx.doi.org/10.1107/S205698901502109X Text en © Naz et al. 2015 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 Naz, Ghazala Tahir, Muhammad Nawaz Ahmad, Saeed Isab, Anvarhusein A. Fettouhi, Mohammed Crystal structure of dichloridobis(1,3-diazinane-2-thione-κS)cadmium |
title | Crystal structure of dichloridobis(1,3-diazinane-2-thione-κS)cadmium |
title_full | Crystal structure of dichloridobis(1,3-diazinane-2-thione-κS)cadmium |
title_fullStr | Crystal structure of dichloridobis(1,3-diazinane-2-thione-κS)cadmium |
title_full_unstemmed | Crystal structure of dichloridobis(1,3-diazinane-2-thione-κS)cadmium |
title_short | Crystal structure of dichloridobis(1,3-diazinane-2-thione-κS)cadmium |
title_sort | crystal structure of dichloridobis(1,3-diazinane-2-thione-κs)cadmium |
topic | Research Communications |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC4719821/ https://www.ncbi.nlm.nih.gov/pubmed/26870412 http://dx.doi.org/10.1107/S205698901502109X |
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