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Crystal structure of di-chlorido-bis-(1,3-diazinane-2-thione-?S)cadmium.

ABSTRACT: In the structure of the title compound, [CdCl2(C4H8N2S)2], the Cd(II) atom is coordinated by two chloride ions and two 1,3-diazinane-2-thione (Diaz) mol-ecules through their S atoms. The geometry around the Cd(II) atom is distorted tetra-hedral, 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 mol-ecular structure is stabilized by intra-molecular N-H?Cl hydrogen-bonding inter-actions, generating a butterfly syn conformation. Inter-molecular N-H?Cl and N-H?S inter-actions 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).

SUBMITTER: Naz G

PROVIDER: S-EPMC4719821 | biostudies-other | 2015 Dec

REPOSITORIES: biostudies-other

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Crystal structure of di-chlorido-bis-(1,3-diazinane-2-thione-κS)cadmium.

Naz Ghazala G Tahir Muhammad Nawaz MN Ahmad Saeed S Isab Anvarhusein A AA Fettouhi Mohammed M

Acta crystallographica. Section E, Crystallographic communications 20151114 Pt 12

In the structure of the title compound, [CdCl2(C4H8N2S)2], the Cd(II) atom is coordinated by two chloride ions and two 1,3-diazinane-2-thione (Diaz) mol-ecules through their S atoms. The geometry around the Cd(II) atom is distorted tetra-hedral, 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 mol-ecular structure is stabilized by intra-molecular N-H⋯Cl hydrogen-bond ...[more]

PMID: 26870412

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