[(1R)-3-Benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-onato-κ2 O,O′]chlorido(η6-p-cymene)ruthenium(II)

The asymmetric unit of the title compound, [RuCl(C10H14)(C17H19O2)], contains two diastereomers. In both, the RuII ion has a tetrahedral coordination, formed by two O atoms of the camphor-derived ligand and the p-cymene and Cl ligands. In the crystal structure, weak intermolecular C—H⋯Cl interactions link the molecules into columns propagated along [010].

The asymmetric unit of the title compound, [RuCl(C 10 H 14 )-(C 17 H 19 O 2 )], contains two diastereomers. In both, the Ru II ion has a tetrahedral coordination, formed by two O atoms of the camphor-derived ligand and the p-cymene and Cl ligands. In the crystal structure, weak intermolecular C-HÁ Á ÁCl interactions link the molecules into columns propagated along [010].
The authors thank the SCCYT (Universidad de Cá diz) for the X-ray data collection and the Consejería de Innovació n, Ciencia y Empresa de la Junta de Andalucía for financial support.
[(1R)-3-Benzoyl-1,7,7-trimethylbicyclo[2. Camphor-derived 1,3-diketonato ligands are a potentially attractive class of ligands in organometallic development, because these compounds are readily synthesized, easily varied (Togni et al., 1990(Togni et al., , 1993 and some of their corresponding transition metal complexes can be used as therapeutic drugs (Guo et al., 1999). The crystallographic study of these compounds is of great interest in view of search for structure-activity relationships. This paper is a continuation of our X-ray crystal structure studies on rhodium and ruthenium complexes incorporating camphor-derived 1,3-diketonato ligands (Spannenberg et al., 2002;Ait Ali et al., 2006).
The title complex (I) was synthesized by addition of [RuCl 2 (p-cymene)] 2 to a mixture of (1R)-3-Benzoyl-1,7,7-trimethylbicyclo[2.2.1]heptan-2-one, also named (1R)-3-benzoyl-camphor, and Na 2 CO 3 in anhydrous THF. The neutral complex The metal centre shows tetrahedral coordination formed by two O atoms of the camphor-derived ligand, and the p-cymene and Cl ligands. Two independent molecules in the unit cell have opposite configuration at the metallic centre (R and S), but both of them keep the initial configuration at the two chiral carbon atoms in the (1R)-3-benzoyl-camphor free ligand being, consequently, diasteomers and only partially enantiomers.
In the crystal structure, weak intermolecular C-H···Cl interactions (Table 2) link the molecules into columns propagated in direction [010].

Refinement
All H atoms were positioned geometrically (C-H = 0.95-0.99Å) and treated as riding, with U iso (H) = 1.2U eq (C).  Fig. 1. First independent molecule of (I) with the atomic numbering and 50% probability displacement ellipsoids.  Least-squares matrix: full H-atom parameters constrained

Special details
Experimental. Bruker SMART APEX 3-circle diffractometer with CCD area detector, sealed X-ray tube, graphite monochromator. A hemisphere of the reciprocal space up to theta(max) = 27.56 deg was measured by omega scan frames with delta(omega) = 0.30 deg and 10 sec per frame, 1700 frames were recorded using program SMART (Bruker). Frame data evaluation and integration were done with program SAINT+(Bruker); Lattice parameters by least-squares refinement of the geometric parameters of the strongest reflections with program SAINT + (Bruker). Correction for absorption and crystal decay (insignificant) were applied by semi-empirical method from equivalents using program SADABS (G.M. Sheldrick, version of 2001, Univ. of Goettingen, Germany). Data reduction was done with program XPREP (BRUKER).
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 unique set of 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 R-factors(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.