Dichlorido[(1R,2R)-N-(pyridin-2-ylmethyl)cyclohexane-1,2-diamine-κ3 N,N′,N′′]mercury(II)

In the title compound, [HgCl2(C12H19N3)], the HgII ion is coordinated by three N atoms of the (1R,2R)-N-(pyridin-2-ylmethyl)cyclohexane-1,2-diamine ligand and by a Cl atom in the basal plane, and by a second Cl atom in the apical position, within a distorted square-pyramidal geometry. The coordination of the enantiopure ligand to the metal atom renders the central N atom chiral with an S configuration, so the complex is enantiomerically pure and corresponds to the S,R,R diastereoisomer. Molecules are linked via weak N—H⋯Cl hydrogen bonds into a one-dimensional hydrogen-bonding supramolecular chain along the crystallographic b axis.

In the title compound, [HgCl 2 (C 12 H 19 N 3 )], the Hg II ion is coordinated by three N atoms of the (1R,2R)-N-(pyridin-2ylmethyl)cyclohexane-1,2-diamine ligand and by a Cl atom in the basal plane, and by a second Cl atom in the apical position, within a distorted square-pyramidal geometry. The coordination of the enantiopure ligand to the metal atom renders the central N atom chiral with an S configuration, so the complex is enantiomerically pure and corresponds to the S,R,R diastereoisomer. Molecules are linked via weak N-HÁ Á ÁCl hydrogen bonds into a one-dimensional hydrogen-bonding supramolecular chain along the crystallographic b axis.
The title compound is a mononuclear complex, in which the coordination environment of Hg II can be described as distorted square-pyramidal, being surrounded by one tridentate ligand and two chlorine anions (Fig. 1).
The molecules are linked to each other, via weak N-H···Cl hydrogen bonds, into a one-dimensional hydrogen bonding network (Table 1, Fig. 2).

Refinement
All H atoms attached to C atoms were fixed geometrically and treated as riding with C-H = 0.95-1.00Å with U iso (H) = 1.2U eq (C). H atoms attached to N atoms were located in difference Fourier maps and included in the subsequent refinement using restraints with N-H = 0.87Å with U iso (H) = 1.2U eq (N).

Dichlorido[(1R,2R)-N-(pyridin-2-ylmethyl)cyclohexane-1,2-diamine-κ 3 N,N′,N′′]mercury(II)
Crystal data [HgCl 2 (C 12 (7) Special details Geometry. All s.u.'s (except the s.u. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell s.u.'s are taken into account individually in the estimation of s.u.'s in distances, angles and torsion angles; correlations between s.u.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell s.u.'s is used for estimating s.u.'s 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 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.