catena-Poly[copper(II)-{μ3-4,4′-dichloro-2,2′-[butane-1,4-diylbis(nitrilo­methanyl­yl­idene)]diphenolato-κ4N,O:N′,O′:O′}]

Kargar, H.; Kia, R.

doi:10.1107/S1600536811009974

Volume 67
Part 4
Pages m497-m498
April 2011

Received 7 March 2011
Accepted 16 March 2011
Online 26 March 2011

Key indicators
Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.003 Å
R = 0.041
wR = 0.108
Data-to-parameter ratio = 33.0
Details

catena-Poly[copper(II)-{₃-4,4'-dichloro-2,2'-[butane-1,4-diylbis(nitrilomethanylylidene)]diphenolato-⁴N,O:N',O':O'}]

Hadi Kargar ^a ^* and Reza Kia ^b

^aChemistry Department, Payame Noor University, Tehran 19395-4697, I. R. of Iran, and ^bX-ray Crystallography Lab., Plasma Physics Research Center, Science and Research Branch, Islamic Azad University, Tehran, Iran
Correspondence e-mail: hkargar@pnu.ac.ir

The asymmetric unit of the title coordination polymer, [Cu(C₁₈H₁₆Cl₂N₂O₂)]_n, consists of a Schiff base complex in which the Cu^II atom adopts a square-pyramidal coordination geometry, being coordinated by two N and two O atoms of symmetry-related ligands and by a third O atom from a complex related by an inversion center. In the structure, a crystallographic twofold rotation axis bisects the central C-C bonds of the n-butyl spacers of the designated Schiff base ligands, making symmetry-related dimeric units, which are twisted around Cu^II atoms in a bis-bidentate coordination mode. In the crystal, these dimeric units are connected through the third bridging Cu-O bonds [2.3951 (13) Å], forming one-dimensional coordination polymers, which propagate along [001]. Furthermore, intermolecular [pi] - [pi] interactions [centroid-centroid distance = 3.811 (1) Å] stabilize the crystal packing.

Related literature

For van der Waals radii, see: Bondi (1964). For background to coordination polymers, see: Kido & Okamoto (2002); Li et al. (2006); Eddaoudi et al. (2001); Dietzel et al. (2005). For background to bis-bidentate Schiff base complexes, see: Hannon et al. (1999); Lavalette et al. (2003). For the synthesis and structural variations of Schiff base complexes, see: Granovski et al. (1993); Elmali et al. (2000).

Experimental

Crystal data

[Cu(C₁₈H₁₆Cl₂N₂O₂)]
M_r = 426.77
Monoclinic, C 2/c
a = 23.7249 (5) Å
b = 10.5067 (2) Å
c = 15.2460 (3) Å
= 116.988 (1)°
V = 3386.52 (12) Å³
Z = 8
Mo K radiation
= 1.62 mm^-1
T = 100 K
0.42 × 0.23 × 0.17 mm

Data collection

Bruker SMART APEXII CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2001) T_min = 0.547, T_max = 0.768
30759 measured reflections
7465 independent reflections
5511 reflections with I > 2(I)
R_int = 0.048

Refinement

R[F² > 2(F²)] = 0.041
wR(F²) = 0.108
S = 1.03
7465 reflections
226 parameters
H-atom parameters constrained
_max = 1.07 e Å^-3
_min = -0.70 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
C18-H18AO1	0.97	2.28	2.973 (2)	127

Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); 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 and PLATON (Spek, 2009).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SU2262 ).

Acknowledgements

HK thanks PNU for support of this work. RK thanks the Science and Research Branch, Islamic Azad University.

References

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Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
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Dietzel, P. D. C., Morita, Y., Blom, R. & Fjellvag, H. (2005). Angew. Chem. Int. Ed. 44, 1483-1492.
Eddaoudi, M., Moler, D., Li, H., Reineke, T. M., O'Keeffe, M. & Yaghi, O. M. (2001). Acc. Chem. Res. 34, 319-330.
Elmali, A., Zeyrek, C. T., Elerman, Y. & Svoboda, I. (2000). Acta Cryst. C56, 1302-1304.
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