Tetra­imidazole­bis(trichloro­acetato)copper(II)

Li-Min Li; Huan-Mei Guo; Fang-Fang Jian; Zeng-Hui Zhang; Ning Zhang

doi:10.1107/S1600536810017459

. 2010 May 22;66(Pt 6):m682. doi: 10.1107/S1600536810017459

Tetraimidazolebis(trichloroacetato)copper(II)

Li-Min Li ^a, Huan-Mei Guo ^a, Fang-Fang Jian ^b,^*, Zeng-Hui Zhang ^c, Ning Zhang ^c

PMCID: PMC2979359 PMID: 21579322

Abstract

The title compound, [Cu(C₂Cl₃O₂)₂(C₃H₄N₂)₄], was prepared by the reaction of imidazole and trichloroacetatocopper(II). The Cu^II atom adopts a distorted octahedral coordination geometry, binding the N atoms of four imidazole ligands and the carboxylate O atoms of two trichloroacetate anions. The molecular structure and packing are stabilized by N—H⋯O hydrogen-bonding interactions. Close intermolecular Cl⋯Cl contacts [3.498 (3) Å] are also found in the structure.

Related literature

For background to work on metal-organic frameworks, see: Chen et al. (2001 ▶); Fang et al. (2005 ▶). For a related structure, see: Moncol et al. (2007 ▶).

Experimental

Crystal data

[Cu(C₂Cl₃O₂)₂(C₃H₄N₂)₄]
M _r = 660.61
Triclinic,
a = 10.054 (2) Å
b = 10.539 (2) Å
c = 12.959 (3) Å
α = 108.12 (3)°
β = 92.93 (3)°
γ = 95.18 (3)°
V = 1295.2 (4) Å³
Z = 2
Mo Kα radiation
μ = 1.50 mm⁻¹
T = 293 K
0.22 × 0.20 × 0.18 mm

Data collection

Bruker SMART CCD area-detector diffractometer
12377 measured reflections
5823 independent reflections
5048 reflections with I > 2σ(I)
R _int = 0.053

Refinement

R[F ² > 2σ(F ²)] = 0.055
wR(F ²) = 0.168
S = 1.05
5823 reflections
316 parameters
H-atom parameters constrained
Δρ_max = 1.43 e Å⁻³
Δρ_min = −0.86 e Å⁻³

Data collection: SMART (Bruker, 1997 ▶); cell refinement: SAINT (Bruker, 1997 ▶); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL (Sheldrick, 2008 ▶); software used to prepare material for publication: SHELXTL.

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536810017459/sj2779sup1.cif

e-66-0m682-sup1.cif^{(20.2KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536810017459/sj2779Isup2.hkl

e-66-0m682-Isup2.hkl^{(285KB, hkl)}

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

Table 1. Selected bond lengths (Å).

Cu1—N7	1.997 (2)
Cu1—N3	2.001 (2)
Cu1—N1	2.011 (3)
Cu1—N5	2.022 (3)
Cu1—O3	2.479 (2)
Cu1—O2	2.618 (2)

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Table 2. Hydrogen-bond geometry (Å, °).

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N8—H8A⋯O1ⁱ	0.86	2.03	2.885 (3)	177
N6—H6A⋯O4ⁱⁱ	0.86	2.02	2.854 (3)	164
N2—H2A⋯O1ⁱⁱⁱ	0.86	1.96	2.790 (3)	162
N4—H4B⋯O4^iv	0.86	1.93	2.764 (3)	162

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Symmetry codes: (i) Inline graphic ; (ii) ; (iii) ; (iv) .

Acknowledgments

The authors would like to thank the Natural Science Foundation of Shandong Province for financial support (No. Y2008B30).

supplementary crystallographic information

Comment

Metal-organic framework coordination polymers have attracted tremendous attention because of their molecular topologies and their potentially useful ion exchange, adsorption, catalytic and magnetic properties (Chen et al., 2001; Fang et al., 2005 ). In order to search for new complexes of this type, we synthesized the title compound and report its crystal structure here.

The title structure contains one copper(II) cation, four imidazole ligands and two trichloroacetate anions. The coordination sphere of the copper(II) ion is best described as a slightly distorted octahedron. The Cu—N bond lengths are in agreement with those reported recently (Moncol et al., 2007). The crystal packing is stabilized by C—H···O and N—H···O hydrogen interaction (Table 1).

Experimental

The title compound was obtained by adding imidazole(4 mmol) dropwise to a solution of copper(II) trichloroacetate acid (1 mmol) in ethanol (30 ml) with stirring for 1 hour at room temperature. A blue solution formed and after a few days rod-like crystals precipitated.