[Journal logo]

Volume 68 
Part 4 
Pages m469-m470  
April 2012  

Received 30 September 2011
Accepted 6 March 2012
Online 24 March 2012

[rn2095sup1]
[3d view]

[Cited in]
[Download citation]
Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.003 Å
R = 0.032
wR = 0.098
Data-to-parameter ratio = 20.7
Details
Open access

Bis(methacrylato-[kappa]O)bis(2,4,6-trimethylpyridine-[kappa]N)copper(II)

Ejaz,a Islam Ullah Khan,a* Alina Murtazaa and William T. A. Harrisonb

aMaterials Chemistry Laboratry, Department of Chemistry, GC University, Lahore 54000, Pakistan, and bDepartment of Chemistry, University of Aberdeen, Meston Walk, Aberdeen AB24 3UE, Scotland
Correspondence e-mail: iuklodhi@yahoo.com

In the monomeric title complex, [Cu(C4H5O2)2(C8H11N)2], the CuII atom lies on a centre of inversion. Its coordination by two substituted pyridine ligands and two carboxylate anions leads to a slightly distorted trans-CuN2O2 square-planar geometry. The dihedral angle between the mean planes of the pyridine (py) ring and the carboxylate group is 74.71 (7)°. The dihedral angles between the planar CuN2O2 core and the py ring and carboxylate plane are 67.72 (5) and 89.95 (5)°, respectively. Based on the refined C=C and C-C bond lengths, the terminal =CH2 and -CH3 groups of the carboxylate anion may be disordered, but the disorder could not be resolved in the present experiment. Several intramolecular C-H...O interactions occur. In the crystal, molecules are linked by weak C-H...O hydrogen bonds, generating chains propagating in [100].

Related literature

For the crystal structures of related monomeric complexes containing a trans-CuN2O2 core, see: Borel et al. (1981[Borel, M. M., Busnot, A., Busnot, F., Leclaire, A. & Bernard, M. A. (1981). Rev. Chem. Mineral. 18, 74-82.]); Heimer & Ahmed (1982[Heimer, N. E. & Ahmed, I. V. (1982). Inorg. Chim. Acta, 65, L65-L66.]); Jedrzejas et al. (1994[Jedrzejas, M. J., Towns, R. L. R., Baker, R. J., Duraj, S. A. & Hepp, A. F. (1994). Acta Cryst. C50, 1442-1443.]).

[Scheme 1]

Experimental

Crystal data

  • [Cu(C4H5O2)2(C8H11N)2]

  • Mr = 476.06

  • Monoclinic, P 21 /n

  • a = 8.2295 (2) Å

  • b = 17.0921 (6) Å

  • c = 9.1683 (3) Å

  • [beta] = 109.220 (1)°

  • V = 1217.73 (7) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 0.93 mm-1

  • T = 296 K

  • 0.08 × 0.06 × 0.06 mm
Data collection

  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2007[Bruker (2007). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.930, Tmax = 0.947

  • 11795 measured reflections

  • 3017 independent reflections

  • 2439 reflections with I > 2[sigma](I)

  • Rint = 0.030
Refinement

  • R[F2 > 2[sigma](F2)] = 0.032

  • wR(F2) = 0.098

  • S = 1.05

  • 3017 reflections

  • 146 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.24 e Å-3

  • [Delta][rho]min = -0.21 e Å-3

Table 1
Selected geometric parameters (Å, °)

Cu1-O2 1.9406 (12)
Cu1-N1 2.0404 (14)
O2-Cu1-N1 91.73 (6)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
C4-H4...O1i 0.93 2.45 3.338 (2) 161
C6-H6A...O1 0.96 2.49 3.369 (3) 153
C6-H6C...O2ii 0.96 2.48 3.139 (3) 126
C8-H8A...O1ii 0.96 2.49 3.357 (3) 150
C8-H8C...O2 0.96 2.51 3.124 (2) 122
Symmetry codes: (i) x+1, y, z; (ii) -x+1, -y+1, -z+1.

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). APEX2, SAINT and SADABS. 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.]); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: RN2095 ).

Acknowledgements

IUK thanks the Higher Education Commission of Pakistan for its financial support under the project to strengthen the Materials Chemistry Laboratory at GCUL.

References

Borel, M. M., Busnot, A., Busnot, F., Leclaire, A. & Bernard, M. A. (1981). Rev. Chem. Mineral. 18, 74-82.  [ChemPort]
Bruker (2007). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  [CrossRef] [details]
Heimer, N. E. & Ahmed, I. V. (1982). Inorg. Chim. Acta, 65, L65-L66.  [CrossRef] [ISI]
Jedrzejas, M. J., Towns, R. L. R., Baker, R. J., Duraj, S. A. & Hepp, A. F. (1994). Acta Cryst. C50, 1442-1443.  [CrossRef] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]

Acta Cryst (2012). E68, m469-m470   [ doi:10.1107/S1600536812009919 ]

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.