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Crystal structure of bis-(thio-cyanato-?S)bis-(thio-urea-?S)mercury(II).

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.

SUBMITTER: Baskaran A

PROVIDER: S-EPMC4384628 | biostudies-literature | 2015 Feb

REPOSITORIES: biostudies-literature

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

Baskaran A A Rajarajan K K NizamMohideen M M Sagayaraj P P

Acta crystallographica. Section E, Crystallographic communications 20150117 Pt 2

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 ...[more]

PMID: 25878839

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Crystal structure of bis-(N,N'-di-methyl-thio-urea-κS)bis-(thio-cyanato-κN)cobalt(II).

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Crystal structures of tetra-kis-(pyridine-4-thio-amide-κN)bis-(thio-cyanato-κN)cobalt(II) monohydrate and bis-(pyridine-4-thio-amide-κN)bis-(thio-cyanato-κN)zinc(II).

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(2,9-Dimethyl-1,10-phenanthroline-?(2)N,N')bis-(thio-cyanato-?S)mercury(II).

Project description:The asymmetric unit of the title compound, [Hg(SCN)(2)(C(14)H(12)N(2))], contains two complex mol-ecules in which the Hg(II) atoms are both four-coordinated in a distorted tetra-hedral configuration by two N atoms from a chelating 2,9-dimethyl-1,10-phenanthroline ligand and by two S atoms from two thio-cyanate anions. The 1,10-phenanthroline ligand is slightly folded for one complex, the dihedral angle between the pyridine planes being 5.3?(1)°. In contrast it is nearly planar [0.5?(1)°] as it complexes with the other Hg(II) atom. The thio-cyanate ligands are virtually linear and the S atom is bonded to Hg(II) with N?S-Hg angles ranging from 99.3?(1) to 103.5?(1)°. Despite the presence of six aromatic rings in the asymmetric unit, there are no significant inter-molecular ?-? contacts between phenanthroline ligands as the centroid-centroid distance of the closest contact between six-membered rings is 4.11?(1) A°.

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