Dichlorido(2,9-diethoxy-1,10-phenanthroline-κ2 N,N′)zinc(II)

All non-H atoms except for the Cl atoms lie on a mirror plane in the title complex, [ZnCl2(C16H16N2O2)]. The ZnII ion is coordinated by two N atoms from a bis-chelating 2,9-diethoxy-1,10-phenanthroline ligand and two symmetry-related Cl atoms in a distorted tetrahedral environment. The two Zn—N bond lengths are significantly different from each other and the N—Zn—N angle is acute. In the crystal structure, there are weak but significant π–π stacking interactions between phenanthroline rings, with a centroid–centroid distance of 3.764 (1) Å.

All non-H atoms except for the Cl atoms lie on a mirror plane in the title complex, [ZnCl 2 (C 16 H 16 N 2 O 2 )]. The Zn II ion is coordinated by two N atoms from a bis-chelating 2,9-diethoxy-1,10-phenanthroline ligand and two symmetry-related Cl atoms in a distorted tetrahedral environment. The two Zn-N bond lengths are significantly different from each other and the N-Zn-N angle is acute. In the crystal structure, there are weak but significantstacking interactions between phenanthroline rings, with a centroid-centroid distance of 3.764 (1) Å .

Comment
The compound 1,10-phenanthroline has been reported as used to synthesize some potential strong luminescent materials with d 10 metals. It was predicted that the title compound which is composed of a derivative of 1,10-phenanthroline and a d 10 metal would possess strong ligand to ligand or metal perturbed ligand to ligand emissions (Majumder et al., 2006;Bie, et al., 2006). The ligand 2,9-Diethoxy-1,10-phenanthroline as a derivative of 1,10-phenanthroline was synthesized at an earlier time and possesses antimycoplasmal activity in the presence of copper (Pijper, et al., 1984).
The title mononuclear zinc(II) complex is shown in Fig. 1. All non-hydrogen atoms, execpt for the Cl atoms, lie on a mirror plane. The Zn II ion is four coordinated by two nitrogen atoms from the 1,10-phenanthroline ring system (N1 and N2) and two chlorine atoms [Cl1, Cl1 i . Symmetry code: (i) x, -y + 1/2, z], defining a disotorted tetrahedral coordination environment. In the crystal structure there are weak but significant π-π stacking interactions between phenanthroline rings ( Fig. 2) with a centroid-to-centroid distance of 3.764 (1) Å.

Refinement
Carbon-bound H atoms were positioned geometrically and refined using a riding model [C-H = 0.93 Å and U iso (H) = 1.2 U eq (C) for aromatic H atoms; C-H = 0.97 Å and U iso (H) = 1.2 U eq (C) for methylene H atoms; C-H = 0.96 Å and U iso (H) = 1.5 U eq (C) for methyl H atoms;]. The final difference Fourier map had a highest peak at 1.17 Å from atom Zn1 and a deepest hole at 1.04 Å from atom Zn1.  Dichlorido(2,9-diethoxy-1,10-phenanthroline-κ 2 N,N')zinc (II) Crystal data [ZnCl 2 (C 16  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.
Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å 2 )