Crystal structure of di-aqua-bis-(2,6-di-methyl-pyrazine-κN)bis-(thio-cyanato-κN)cobalt(II) 2,5-di-methyl-pyrazine tris-olvate.

Stefan Suckert,Inke Jess,Christian Näther,Susanne Wöhlert

doi:10.1107/s2056989015024184

Stefan Suckert, Inke Jess + Show 2 more

Open Access

https://doi.org/10.1107/s2056989015024184

Copy DOI

Abstract

In the crystal structure of the title compound, [Co(NCS)2(C6H8N2)2(H2O)2]·3C6H8N2, the CoII cation is coordinated by two terminally N-bound thiocyanate anions, two water molecules and two 2,6-dimethylpyrazine ligands, forming a discrete complex with a slightly distorted octahedral N4O2 coordination environment. The asymmetric unit contains one CoII cation and three halves of 2,5-dimethylpyrazine solvate molecules, all entities being completed by inversion symmetry, as well as one thiocyanate anion, an aqua ligand and a 2,6-dimethylpyrazine ligand, all in general positions. In the crystal, discrete complexes are arranged in a way that cavities are formed where the noncoordinating 2,5-dimethylpyrazine molecules are located. The coordination of the latter to the metal is prevented due to the bulky methyl groups in vicinal positions to the N atoms, leading to a preferential coordination through the 2,6-dimethylpyrazine ligands. The complex molecules are linked by O—H⋯N hydrogen bonds between the water H atoms and the N atoms of 2,5-dimethylpyrazine solvent molecules, leading to a layered structure extending parallel to (100).

Highlights

[Co(NCS)2(C6H8N2)2(H2O)2]3C6H8N2, the CoII cation is coordinated by two terminally N-bound thiocyanate anions, two water molecules and two 2,6-dimethylpyrazine ligands, forming a discrete complex with a slightly distorted octahedral
The asymmetric unit contains one CoII cation and three halves of 2,5-dimethylpyrazine solvate molecules, all entities being completed by inversion symmetry, as well as one thiocyanate anion, an aqua ligand and a 2,6-dimethylpyrazine ligand, all in general positions
Discrete complexes are arranged in a way that cavities are formed where the noncoordinating 2,5dimethylpyrazine molecules are located

Summary

Introduction

[Co(NCS)2(C6H8N2)2(H2O)2]3C6H8N2, the CoII cation is coordinated by two terminally N-bound thiocyanate anions, two water molecules and two 2,6-dimethylpyrazine ligands, forming a discrete complex with a slightly distorted octahedral. In the crystal structure of the title compound, Discrete complexes are arranged in a way that cavities are formed where the noncoordinating 2,5dimethylpyrazine molecules are located. Hydrogen bonds between the water H atoms and the N atoms of 2,5-dimethylpyrazine solvent molecules, leading to a layered structure extending parallel to (100).

Results

Conclusion