Crystal structure of bis-(thio-cyanato-κS)bis-(thio-urea-κS)mercury(II)

Acta Crystallogr E Crystallogr Commun. 2015 Jan 17;71(Pt 2):m28-9. doi: 10.1107/S2056989015000584. eCollection 2015 Feb 1.

Abstract

In the title complex, [Hg(NCS)2(CH4N2S)2], the Hg(II) atom is four-coordinated having an irregular four-coordinate geometry composed of four thione S atoms of two thio-cyanate groups and two thio-urea groups. The S-Hg-S angles are 172.02 (9)° for the trans-thio-cyanate S atoms and 90.14 (5)° for the cis-thio-urea S atoms. The mol-ecular structure is stabilized by an intra-molecular N-H⋯S hydrogen bond, which forms an S(6) ring motif. In the crystal, mol-ecules are linked by a number of N-H⋯N and N-H⋯S hydrogen bonds, forming a three-dimensional framework. The first report of the crystal structure of this compound appeared in 1966 [Korczynski (1966 ▶). Rocz. Chem. 40, 547-569] with an extremely high R factor of 17.2%, and no mention of how the data were collected.

Keywords: crystal structure; hydrogen bonding; mercury(II); mol­ecular complex; thio­cyanate; thio­urea.