Chlorido[N,N′-dibenzyl-N,N′-bis(pyridin-2-ylmethyl)ethane-1,2-diamine]copper(II) perchlorate methanol monosolvate

In the title solvated molecular salt, [CuCl(C28H30N4)]ClO4·CH3OH, the Cu2+ ion is coordinated by the N,N′,N′′,N′′′-tetradentate ligand and a chloride ion, generating a very distorted square-based pyramidal CuN4Cl coordination geometry with the Cl− ion in the basal position. In the crystal, the solvent molecules and anions are linked by weak O—H⋯O hydrogen bonding.

In the title solvated molecular salt, [CuCl(C 28 H 30 N 4 )]ClO 4 Á-CH 3 OH, the Cu 2+ ion is coordinated by the N,N 0 ,N 00 ,N 000tetradentate ligand and a chloride ion, generating a very distorted square-based pyramidal CuN 4 Cl coordination geometry with the Cl À ion in the basal position. In the crystal, the solvent molecules and anions are linked by weak O-HÁ Á ÁO hydrogen bonding.
This work was supported financially by the National Natural Science Foundation of China (20971102)  Recently, study of copper complex with polynitrogen ligands has been given considerable attention because of their interesting biochemical properties (Cejudo et al., 2006;Vaidyanathan et al., 2003;Wang et al., 2007;Xiao et al., 2011).
The structure of the title compound is shown in Fig.1. The Cu(II) atom is five-coordinated by two amino N atoms and two pyridine N atoms from the ligand L and one Cl atom. The coordination geometry for central Cu(II) atom can be described as distorted square based pyramidal, with τ = 0.30 (Addison et al., 1984).
To a refluxing solution of L (0.149 g, 0.3 mmol) in absolute methanol (15 ml) was added dropwise a solution of CuCl 2 (0.0404 g 0.3 mmol)and Cu(ClO 4 ) 2 .6H 2 O (0.112 g, 0.3 mmol). After the addition was completed, the resulting solution became green, and the mixture was stirred for about 6 h at room temperature. After filtration, blue blocks were obtained by slow evaporation of the absolute methanol solution at room temperature for two weeks.

Refinement
All C-bound H atoms were placed in calculated positions with 0.93-0.97 Å, and included in the refinement in the ridingmodel approximation, with U(H) set to 1.2-1.5U eq (C).

Computing details
Data collection: SMART (Bruker, 2000); cell refinement: SAINT (Bruker, 2000); data reduction: SAINT (Bruker, 2000); program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL (Sheldrick, 2008 where P = (F o 2 + 2F c 2 )/3 (Δ/σ) max = 0.001 Δρ max = 0.24 e Å −3 Δρ min = −0.36 e Å −3 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 > 2sigma(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.