Cargando…

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...

Descripción completa

Detalles Bibliográficos
Autores principales: Naz, Ghazala, Tahir, Muhammad Nawaz, Ahmad, Saeed, Isab, Anvarhusein A., Fettouhi, Mohammed
Formato: Online Artículo Texto
Lenguaje:English
Publicado: International Union of Crystallography 2015
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
_version_ 1782410980810031104
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
work_keys_str_mv AT nazghazala crystalstructureofdichloridobis13diazinane2thionekscadmium
AT tahirmuhammadnawaz crystalstructureofdichloridobis13diazinane2thionekscadmium
AT ahmadsaeed crystalstructureofdichloridobis13diazinane2thionekscadmium
AT isabanvarhuseina crystalstructureofdichloridobis13diazinane2thionekscadmium
AT fettouhimohammed crystalstructureofdichloridobis13diazinane2thionekscadmium