[Bis(2-pyridyl-κN)amine]chlorido(η6-hexamethylbenzene)ruthenium(II) hexafluoridophosphate dichloromethane solvate

In the title half-sandwich complex, [RuCl(η6-C12H18)(C10H9N3)]PF6·CH2Cl2, the ruthenium(II) ion is four-coordinated by a chloro, a hexamethylbenzene and a bidentate N,N′-chelating di(pyridin-2-yl)amine ligand. In the crystal, the amino N—H group forms a hydrogen bond with the chloro ligand of a neighbouring complex, thus forming chains along the b axis. Weak intermolecular C—H⋯F and C—H⋯ Cl contacts are also observed.

In the crystal packing, the N-H amino group is involved in a H-bonded interaction with the chloro ligand of a neighbouring complex, thus forming infinite one-dimensional chains along the b axis. Moreover, there are weak intermolecular contacts of the type C-H···F and C-H··· Cl.

Experimental
The synthesis of the title compound has been reported (Romain et al., 2010;Gupta et al., 2011). Yellow-orange crystals for X-ray diffraction analysis were obtained by slow diffusion of hexane into a dichloromethane solution of the title complex.

Refinement
The H atoms were included in calculated positions and refined using a riding model, with C-H = 0.93-0.96 Å and with U iso (H) = 1.2 (1.5 for methyl) times U eq (C), except for the H atom of the N-H group which was found in the Fourier difference map and refined isotropically. Fig. 1. The molecular structure of [RuCl(η 2 -C 10 H 9 N 3 -κ 2 -N,N')(η 6 -C 12 H 18 )]PF 6 . Displacement ellipsoids are drawn at the 50% probability level.

Special details
Geometry. All esds (except the esd in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell esds are taken into account individually in the estimation of esds in distances, angles and torsion angles; correlations between esds in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell esds is used for estimating esds involving l.s. planes.
Refinement. Refinement of F 2 against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F 2 , conventional R-factors R are based on F, with F set to zero for negative F 2 . The threshold expression of F 2 > σ(F 2 ) is used only for calculating Rfactors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F 2 are statistically about twice as large as those based on F, and R-factors based on ALL data will be even larger.