Crystal structure of pyridinium tetra-iso-thio-cyanato-dipyridine-chromium(III) pyridine monosolvate.

Tristan Neumann,Inke Jess,Christian Näther

doi:10.1107/s2056989019014488

Tristan Neumann, Inke Jess + Show 1 more

Open Access

https://doi.org/10.1107/s2056989019014488

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Abstract

In the crystal structure of the title compound, (C5H6N)[Cr(NCS)4(C5H5N)2]·C5H5N, the CrIII ions are octa-hedrally coordinated by four N-bonding thio-cyanate anions and two pyridine ligands into discrete negatively charged complexes, with the CrIII ion, as well as the two pyridine ligands, located on crystallographic mirror planes. The mean planes of the two pyridine ligands are rotated with respect to each other by 90°. Charge balance is achieved by one protonated pyridine mol-ecule that is hydrogen bonded to one additional pyridine solvent mol-ecule, with both located on crystallographic mirror planes and again rotated by exactly 90°. The pyridinium H atom was refined as disordered between both pyridine N atoms in a 70:30 ratio, leading to a linear N-H⋯N hydrogen bond. In the crystal, discrete complexes are linked by weak C-H⋯S hydrogen bonds into chains that are connected by additional C-H⋯S hydrogen bonding via the pyridinium cations and solvent mol-ecules into layers and finally into a three-dimensional network.

Highlights

In the crystal structure of the title compound, (C5H6N)[Cr(NCS)4(C5H5N)2]ÁC5H5N, the CrIII ions are octahedrally coordinated by four N-bonding thiocyanate anions and two pyridine ligands into discrete negatively charged complexes, with the CrIII ion, as well as the two pyridine ligands, located on crystallographic mirror planes
Charge balance is achieved by one protonated pyridine molecule that is hydrogen bonded to one additional pyridine solvent molecule, with both located on crystallographic mirror planes and again rotated by exactly 90
Discrete complexes are linked by weak C—HÁ Á ÁS hydrogen bonds into chains that are connected by additional C— HÁ Á ÁS hydrogen bonding via the pyridinium cations and solvent molecules into layers and into a three-dimensional network

Summary

Chemical context

Coordination compounds with paramagnetic transition metals are of great interest because of their diverse magnetic properties (Cirera et al, 2009; Giannopoulos et al, 2014; Glaser, 2011; Yuan et al, 2007) Those in which the metal cations are linked by small-sized ligands that can mediate magnetic exchange are of special importance because co-operative magnetic phenomena can be expected. In recent years, an increasing number of bridging compounds have been reported, which might be traced back to the fact that several of them were prepared by thermal decomposition of precursors that contain terminal anionic ligands (Nather et al, 2013) In this context, we and others have reported on several new thiocyanate coordination polymers based on transition-metal thiocyanates, in which the metal cations are linked by bridging anionic ligands into chains (Rams et al, 2017; Baran et al, 2019; Wohlert et al, 2013, 2014b; Mautner et al, 2018). Symmetry codes: (ii) x; y þ 1; z; (iii) Àx; Ày þ 2; z À 12; (iv) x; Ày þ 2; z À 12; (v) x; y; z À 1; (vi) Àx; y; z À 1

Supramolecular features

Database survey

Synthesis and crystallization

Refinement