Crystal structure and spectroscopic properties of aqua-dichlorido-{1,1'-[(pyridine-2,6-diyl-κN )bis(methyl-ene)]bis-(4-butyl-4,5-di-hydro-1H -1,2,4-triazole-5-thione-κN2 )}cobalt(II)

Acta Crystallographica. Section E, Crystallographic Communications
John R MiecznikowskiNatalia R Bertolotti

Abstract

The structure of the title compound, [CoCl2(C19H27N7S2)(H2O)], at 173 K has monoclinic (C2/c) symmetry. We report here the synthesis, single-crystal structure, electrospray mass spectrum and NMR spectroscopy of a new six-coordinate cobalt(II) pincer complex. The pincer ligand, in this complex, which is novel, coordinates via three nitro-gen atoms (two triazole and one pyridine). The ligand is ambidentate and can coordinate via three nitro-gen atoms or two sulfur and one nitro-gen atoms. The cobalt(II) metal center has pseudo-octa-hedral geometry and based on the single-crystal structure, the pincer ligand coordinates in a meridional fashion with the metal and adjacent six-membered ring ligands all in a similar plane and forming two slightly distorted boat configurations. The other two coordinated monodentate ligands are one water mol-ecule and two chloride ions with four cobalt(II) complexes in the unit cell. The asymmetric unit of the complex is comprised of half the pyridine ring and water mol-ecule with the CoII atom at the center of the pincer situated about a twofold axis. The Co-N, Co-O, and Co-Cl bond lengths are consistent with single bonds. In the crystal, the complex forms a three-centre bifurcated weak hydrogen-bondi...Continue Reading

References

Nov 15, 2014·Chemical Reviews·Chidambaram Gunanathan, David Milstein
Dec 30, 2014·Acta Crystallographica. Section A, Foundations and Advances·George M Sheldrick
Jan 9, 2015·Acta Crystallographica. Section C, Structural Chemistry·George M Sheldrick
Apr 17, 2015·Acta Crystallographica. Section E, Crystallographic Communications·Marites A Guino-ODaron E Janzen
Feb 13, 2018·Chemical Society Reviews·Eduardo Peris, Robert H Crabtree

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