Crystal structure of dichloridobis(4-ethylaniline-κN)zinc

The title compound, [ZnCl2(C8H11N)2], was synthesized by the reaction of zinc dichloride and 4-ethylaniline. The Zn2+ cation is coordinated by two Cl− anions and the N atoms of two 4-ethylaniline ligands, forming a distorted Zn(N2Cl2) tetrahedron. The dihedral angle between the two benzene rings is 85.3 (2)° The Zn atom lies on a twofold rotation axis. The ethyl substituents are disordered over two sets of sites in a 0.74 (2):0.26 (2) ratio. In the crystal, N—H⋯Cl hydrogen bonds link the molecules into sheets perpendicular to the a axis. C—H⋯Cl interactions also occur.


S1. Comment
Zinc has many biological functions. It is considered to be an essential nutrient that is required for optimal growth and normal development of vertebrate organisms, as well as being important for maintaining the structure of many proteins.
From previous research results, it has been known for many years that zinc mimics the actions of insulin on cells, including promotion of both lipogenesis and glucose transport. Zinc deficiency may indeed affect the optimal functioning of the insulin-signaling pathway (Tang & Shay, 2001;Lynch et al., 2001;Coulston & Dandona, 1980;May & Contoreggi, 1982).
In the title compound (I), ( N-H···Cl hydrogen bonds serve to link the molecules into sheets perpendicular to the a axis.

S2. Experimental
The title compound was synthesized using zinc chloride (0.5 g, 1 mmol) and 4-ethylaniline (0.91 ml, 2 mmol) in 20 ml of ethanol stirring for 2 h. Colorless crystals were obtained and recrystallized from ethanol. The resulting solution was subjected to crystallization by slow evaporation of the solvent resulting in single crystals suitable for X-ray crystallographic studies.

S3. Refinement
N and C-bound H atoms were positioned geometrically (C-H = 0.93-0.97 Å) and allowed to ride on their parent atoms, with U iso (H) = 1.5U eq (C) for methyl H atoms and 1.2U eq (C) for all other H atoms.
supporting information

Figure 1
The molecular structure of the title compound with displacement ellipsoids drawn at the 30% probability level.  where P = (F o 2 + 2F c 2 )/3 (Δ/σ) max = 0.001 Δρ max = 0.46 e Å −3 Δρ min = −0.28 e Å −3 Special details Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'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.