Crystal structure of dichloridobis(1,3-diazinane-2-thione-κS)cadmium

In the structure of the title compound, [CdCl2(C4H8N2S)2], the CdII atom is coordinated by two chloride ions and two 1,3-diazinane-2-thione (Diaz) molecules through their S atoms. The geometry around the CdII atom is distorted tetrahedral, with bond angles in the range 101.55 (7)–117.91 (8)°. The CH...

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Bibliographic Details
Main Authors: Ghazala Naz, Muhammad Nawaz Tahir, Saeed Ahmad, Anvarhusein A. Isab, Mohammed Fettouhi
Format: Article
Language:English
Published: International Union of Crystallography 2015-12-01
Series:Acta Crystallographica Section E: Crystallographic Communications
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Online Access:http://scripts.iucr.org/cgi-bin/paper?S205698901502109X
Description
Summary:In the structure of the title compound, [CdCl2(C4H8N2S)2], the CdII atom is coordinated by two chloride ions and two 1,3-diazinane-2-thione (Diaz) molecules through their S atoms. The geometry around the CdII atom is distorted tetrahedral, with bond angles in the range 101.55 (7)–117.91 (8)°. The CH2 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).
ISSN:2056-9890