The crystal structure of calcium 1,1-dicyanoethylene-2,2-dithiolate pentahydrate

Abstract

The title compound, Ca[S₂CC(CN)₂]·5H₂O, has been synthesized and characterized by X-ray structural analysis. Calcium has a distorted bicapped trigonal-prismatic co-ordination of six O and two N atoms. Two O atoms are co-ordinated to two different Ca²⁺ ions forming dimeric units, (CaO₄O_2//2N₂)₂. Each S₂CC(CN)₂ ligand bridges different dimeric units via its N atoms. The S atoms of the ligand are not included in the co-ordination sphere of Ca²⁺ but they are involved in several O–H ⋯ S hydrogen bonds with O–H ⋯ S distances in the range 321–337 pm.