Bis[μ-2,2′-dimethyl-1,1′-(oxydiethyl­ene)bis­(1H-benzimidazole)-κ2N3:N3′]bis­[bis­(4-methoxy­benzoato-κ2O,O′)cadmium(II)]

Zhao, D.-Y.

doi:10.1107/S1600536810009505

Volume 66
Part 4
Page m430
April 2010

Received 12 February 2010
Accepted 12 March 2010
Online 20 March 2010

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.004 Å
R = 0.034
wR = 0.051
Data-to-parameter ratio = 17.4
Details

Bis[-2,2'-dimethyl-1,1'-(oxydiethylene)bis(1H-benzimidazole)-²N³:N^3']bis[bis(4-methoxybenzoato-²O,O')cadmium(II)]

Dian-Ying Zhao ^a ^*

^aWeifang Vocational College, Weifang 261041, People's Republic of China
Correspondence e-mail: dianying_zhao@yahoo.com.cn

The title complex, [Cd₂(C₈H₇O₃)₄(C₂₀H₂₂N₄O)₂], forms a dimer of the paddle-wheel type, located on a crystallographic inversion centre. The Cd^II ion is hexacoordinated by four carboxylate O atoms [CdO = 2.280 (2)-2.404 (2) Å] from two chelating 4-methoxybenzoate anions, and two N atoms [CdN = 2.313 (2) and 2.332 (2) Å] from one chelating 2,2'-dimethyl-3,3'-(oxydiethylene)bis(1H-benzimidazole) ligand. In the crystal, molecules are linked by a weak intermolecular C-HO hydrogen bond and an intermolecular C-H [pi] interaction.

Related literature

For a related structure, see: Zhao et al. (2002). For bis(imidazole) ligands with -CH₂- spacers as N-donor bridging ligands, see: Hoskins et al. (1997).

Experimental

Crystal data

[Cd₂(C₈H₇O₃)₄(C₂₀H₂₂N₄O)₂]
M_r = 1498.18
Triclinic, $[P \overline 1]$
a = 9.0379 (5) Å
b = 13.8130 (8) Å
c = 13.9361 (6) Å
= 88.143 (4)°
= 86.539 (4)°
= 74.863 (4)°
V = 1676.11 (15) Å³
Z = 1
Mo K radiation
= 0.71 mm^-1
T = 293 K
0.28 × 0.24 × 0.21 mm

Data collection

Oxford Diffraction Gemini R Ultra diffractometer
Absorption correction: multi-scan (CrysAlis CCD; Oxford Diffraction, 2006 $[Oxford Diffraction (2006). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, England.]$ ) T_min = 0.831, T_max = 0.902
12519 measured reflections
7555 independent reflections
4356 reflections with I > 2(I)
R_int = 0.027

Refinement

R[F² > 2(F²)] = 0.034
wR(F²) = 0.051
S = 0.85
7555 reflections
433 parameters
H-atom parameters constrained
_max = 0.38 e Å^-3
_min = -0.34 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

Cg is the centroid of the C10-C15 benzene ring.

D-HA	D-H	HA	DA	D-HA
C21-H21O7ⁱ	0.93	2.50	3.333 (3)	149
C6-H6Cgⁱⁱ	0.93	2.76	3.684 (5)	170
Symmetry codes: (i) x+1, y, z; (ii) -x+2, -y, -z.

Data collection: CrysAlis CCD (Oxford Diffraction, 2006 $[Oxford Diffraction (2006). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, England.]$ ); cell refinement: CrysAlis CCD; data reduction: CrysAlis RED (Oxford Diffraction, 2006 $[Oxford Diffraction (2006). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, England.]$ ); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEP-3 (Farrugia, 1997) and DIAMOND (Brandenburg, 1998); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: LX2137 ).

Acknowledgements

The author thanks Weifang Vocational College for support.

References

Brandenburg, K. (1998). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.
Hoskins, B. F., Robson, R. & Slizys, D. A. (1997). J. Am. Chem. Soc. 119, 2952-2953.
Oxford Diffraction (2006). CrysAlis CCD and CrysAlis RED. Oxford Diffraction Ltd, Abingdon, England.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Zhao, Q.-H., Ma, Y.-P., Wang, Q.-H. & Fang, R.-B. (2002). Chin. J. Struct. Chem. 21, 513-516.

metal-organic compounds

Bis[-2,2'-dimethyl-1,1'-(oxydiethylene)bis(1H-benzimidazole)-2N3:N3']bis[bis(4-methoxybenzoato-2O,O')cadmium(II)]