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Volume 66 
Part 5 
Pages m589-m590  
May 2010  

Received 23 April 2010
Accepted 24 April 2010
Online 30 April 2010

Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](C-C) = 0.007 Å
Disorder in main residue
R = 0.058
wR = 0.156
Data-to-parameter ratio = 17.5
Details
Open access

Tetrakis([mu]2-2,2-dimethylpropanoato-[kappa]2O,O')bis[(pyridine-[kappa]N)copper(II)]: a monoclinic polymorph

aDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
Correspondence e-mail: edward.tiekink@gmail.com

The structure of the dinuclear title complex, [Cu2(C5H9O2)4(C5H5N)2], represents a monoclinic polymorph of the previously reported triclinic form [Blewett et al. (2006[Blewett, G., Esterhuysen, C., Bredenkamp, M. W. & Koch, K. R. (2006). Acta Cryst. E62, m420-m422.]). Acta Cryst. E62, m420-m422]. Each carboxylate group is bidentate bridging and the distorted octahedral geometry about each CuII atom is completed by a pyridine N atom and the other Cu atom [Cu...Cu = 2.6139 (7) Å]. In the crystal, molecules are connected into supramolecular chains via [pi]-[pi] interactions formed by the pyridine rings [centroid-centroid distance = 3.552 (3) Å] and these are connected into a two-dimensional array in the ac plane by C-H...[pi] contacts. One of the tert-butyl groups is disordered over two orientations in a 0.734 (6):0.266 (6) ratio.

Related literature

For the structure of the triclinic polymorph of the title compound, see: Blewett et al. (2006[Blewett, G., Esterhuysen, C., Bredenkamp, M. W. & Koch, K. R. (2006). Acta Cryst. E62, m420-m422.]). For background to copper(II) carboxylates, see: Attard & Cullum (1990[Attard, G. S. & Cullum, P. R. (1990). Liq. Cryst. 8, 299-309.]); Kato et al. (1964[Kato, M., Jonassen, H. B., Fanning, J. C. & Cusachs, L. C. (1964). Chem. Rev. 64, 99-128.]); Melnik et al. (1984[Melnik, M., Dunaj-Jurco, M. & Handlovic, M. (1984). Inorg. Chim. Acta, 86, 185-190.]); Kawata et al. (1992[Kawata, T., Uekusa, H., Ohba, S., Furukawa, T., Tokii, T., Muto, Y. & Kato, M. (1992). Acta Cryst. B48, 253-261.]).

[Scheme 1]

Experimental

Crystal data
  • [Cu2(C5H9O2)4(C5H5N)2]

  • Mr = 689.80

  • Monoclinic, P 21 /n

  • a = 9.4758 (6) Å

  • b = 20.0192 (12) Å

  • c = 18.6136 (10) Å

  • [beta] = 104.515 (3)°

  • V = 3418.3 (4) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.29 mm-1

  • T = 100 K

  • 0.32 × 0.26 × 0.16 mm

Data collection
  • Bruker SMART APEX CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.682, Tmax = 0.820

  • 28775 measured reflections

  • 7077 independent reflections

  • 5583 reflections with I > 2[sigma](I)

  • Rint = 0.060

Refinement
  • R[F2 > 2[sigma](F2)] = 0.058

  • wR(F2) = 0.156

  • S = 1.13

  • 7077 reflections

  • 404 parameters

  • 12 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 1.26 e Å-3

  • [Delta][rho]min = -0.75 e Å-3

Table 1
Selected bond lengths (Å)

Cu1-O7 1.950 (3)
Cu1-O1 1.956 (3)
Cu1-O3 1.976 (3)
Cu1-O5 1.987 (3)
Cu1-N1 2.157 (3)
Cu2-O6 1.962 (3)
Cu2-O4 1.968 (3)
Cu2-O8 1.976 (3)
Cu2-O2 1.978 (3)
Cu2-N2 2.157 (3)

Table 2
Hydrogen-bond geometry (Å, °)

Cg1 and Cg2 are the centroids of the N1,C21-C25 and N2,C26-C30 rings, respectively.

D-H...A D-H H...A D...A D-H...A
C3-H3c...Cg1i 0.98 2.90 3.609 (7) 130
C19b-H19f...Cg2ii 0.98 2.64 3.554 (19) 154
Symmetry codes: (i) x-1, y, z; (ii) x+1, y, z.

Data collection: APEX2 (Bruker, 2008[Bruker (2008). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2008[Bruker (2008). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: ORTEP-3 (Farrugia, 1997[Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.]) and DIAMOND (Brandenburg, 2006[Brandenburg, K. (2006). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43. Submitted.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HB5416 ).


Acknowledgements

The authors thank the University of Malaya for funding this study through PPP (PS345/2010 A) and the Research University Fund (TA021/2009 A).

References

Attard, G. S. & Cullum, P. R. (1990). Liq. Cryst. 8, 299-309.  [CrossRef] [ISI]
Blewett, G., Esterhuysen, C., Bredenkamp, M. W. & Koch, K. R. (2006). Acta Cryst. E62, m420-m422.  [CSD] [CrossRef] [details]
Brandenburg, K. (2006). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2008). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  [CrossRef] [details]
Kato, M., Jonassen, H. B., Fanning, J. C. & Cusachs, L. C. (1964). Chem. Rev. 64, 99-128.  [CrossRef] [ISI]
Kawata, T., Uekusa, H., Ohba, S., Furukawa, T., Tokii, T., Muto, Y. & Kato, M. (1992). Acta Cryst. B48, 253-261.  [CrossRef] [details]
Melnik, M., Dunaj-Jurco, M. & Handlovic, M. (1984). Inorg. Chim. Acta, 86, 185-190.  [CrossRef] [ChemPort] [ISI]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Westrip, S. P. (2010). J. Appl. Cryst. 43. Submitted.


Acta Cryst (2010). E66, m589-m590   [ doi:10.1107/S1600536810015060 ]

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