[Journal logo]

Volume 66 
Part 5 
Pages m601-m602  
May 2010  

Received 14 April 2010
Accepted 27 April 2010
Online 30 April 2010

[ci5079sup1]
[3d view]

[Cited in]
[Download citation]
Key indicators
Single-crystal X-ray study
T = 298 K
Mean [sigma](C-C) = 0.004 Å
Disorder in main residue
R = 0.040
wR = 0.108
Data-to-parameter ratio = 16.8
Details
Open access

Di-[mu]-thiocyanato-[kappa]4N:N-bis({5-methoxy-2-[3-(methylamino)propyliminomethyl]phenolato-[kappa]3O1,N,N'}copper(II))

Nong Wang,a* Rui Xue,a Bo Li,a Yu-Ping Yanga and Min Caoa

aSchool of Chemical and Biological Engineering, Lanzhou Jiaotong University, Lanzhou 730070, People's Republic of China
Correspondence e-mail: wangnong05@163.com

The title thiocyanate-bridged dinuclear copper(II) complex, [Cu2(C12H17N2O2)2(NCS)2], possesses crystallographic inversion symmetry. Each CuII atom is five-coordinated by one imine N, one amine N and one phenolate O atom of the Schiff base ligand, and by two N atoms from two bridging thiocyanate ligands, forming a square-pyramidal geometry. Beside the two thiocyanate bridges, there are two intramolecular N-H...O hydrogen bonds, which further link the two Cu(C12H17N2O2)(NCS) units. The Cu...Cu separation is 3.261 (2) Å. Parts of the methylaminopropylimino segment are disordered over two sites with occupancies of 0.669(9) and 0.331(9).

Related literature

For general background to copper complexes, see: Reddy et al. (2000[Reddy, P. A. N., Datta, R. & Chakravarty, A. R. (2000). Inorg. Chem. Commun. 3, 322-324.]); Ray et al. (2003[Ray, M. S., Bhattacharya, R. B., Chaudhuri, S., Righi, L., Bocelli, G., Mukhopadhyay, G. & Ghosh, A. (2003). Polyhedron, 22, 617-624.]); Arnold et al. (2003[Arnold, P. J., Davies, S. C., Durrant, M. C., Griffiths, D. V., Hughes, D. L. & Sharpe, P. C. (2003). Inorg. Chim. Acta, 348, 143-149.]); Raptopoulou et al. (1998[Raptopoulou, C. P., Papadopoulos, A. N., Malamatari, D. A., Ioannidis, E., Moisidis, G., Terzis, A. & Kessissoglou, D. P. (1998). Inorg. Chim. Acta, 272, 283-290.]). For our previous reports of copper(II) complexes, see: Wang & Li (2005[Wang, N. & Li, J.-P. (2005). Acta Cryst. E61, m1223-m1225.]); Wang et al. (2006[Wang, N., Han, X.-E. & Wen, X.-G. (2006). Acta Cryst. E62, m369-m370.]). For related structures, see: Elmali et al. (2000[Elmali, A., Zeyrek, C. T., Elerman, Y. & Svoboda, I. (2000). Acta Cryst. C56, 1302-1304.]); You & Zhu (2005[You, Z.-L. & Zhu, H.-L. (2005). Acta Cryst. C61, m421-m423.]); Liu et al. (2004[Liu, H., Wang, H., Niu, D. & Lu, Z. (2004). Acta Cryst. E60, m1941-m1942.]); Datta et al. (2008[Datta, A., Huang, J.-H. & Lee, H. M. (2008). Acta Cryst. E64, m1497.]); Habibi et al. (2007[Habibi, M. H., Mokhtari, R., Harrington, R. W. & Clegg, W. (2007). Acta Cryst. E63, m1998.]).

[Scheme 1]

Experimental

Crystal data

  • [Cu2(C12H17N2O2)2(NCS)2]

  • Mr = 685.79

  • Monoclinic, P 21 /c

  • a = 11.8003 (18) Å

  • b = 15.373 (2) Å

  • c = 8.6740 (13) Å

  • [beta] = 108.972 (7)°

  • V = 1488.0 (4) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.61 mm-1

  • T = 298 K

  • 0.20 × 0.20 × 0.18 mm
Data collection

  • Bruker SMART CCD area-detector diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.739, Tmax = 0.760

  • 9297 measured reflections

  • 3544 independent reflections

  • 2496 reflections with I > 2[sigma](I)

  • Rint = 0.030
Refinement

  • R[F2 > 2[sigma](F2)] = 0.040

  • wR(F2) = 0.108

  • S = 1.05

  • 3544 reflections

  • 211 parameters

  • 50 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.48 e Å-3

  • [Delta][rho]min = -0.41 e Å-3

Table 1
Selected bond lengths (Å)

Cu1-O1 1.910 (2)
Cu1-N1 1.953 (2)
Cu1-N2 1.997 (3)
Cu1-N3 1.998 (3)
Cu1-N3i 2.598 (4)
Symmetry code: (i) -x+1, -y, -z.

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N2-H2A...O1i 0.91 2.14 2.999 (3) 157
Symmetry code: (i) -x+1, -y, -z.

Data collection: SMART (Bruker, 1998[Bruker (1998). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 1998[Bruker (1998). SMART 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: CI5079 ).

Acknowledgements

This work was supported by the Science and Technology Support Projects of Gansu Province (grant No. 097 GKCA028) and by the `Qing Lan' Talent Engineering Funds of Lanzhou Jiaotong University.

References

Arnold, P. J., Davies, S. C., Durrant, M. C., Griffiths, D. V., Hughes, D. L. & Sharpe, P. C. (2003). Inorg. Chim. Acta, 348, 143-149.  [ISI] [CSD] [CrossRef] [ChemPort]
Bruker (1998). SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Datta, A., Huang, J.-H. & Lee, H. M. (2008). Acta Cryst. E64, m1497.  [CSD] [CrossRef] [details]
Elmali, A., Zeyrek, C. T., Elerman, Y. & Svoboda, I. (2000). Acta Cryst. C56, 1302-1304.  [CrossRef] [details]
Habibi, M. H., Mokhtari, R., Harrington, R. W. & Clegg, W. (2007). Acta Cryst. E63, m1998.  [CSD] [CrossRef] [details]
Liu, H., Wang, H., Niu, D. & Lu, Z. (2004). Acta Cryst. E60, m1941-m1942.  [CrossRef] [details]
Raptopoulou, C. P., Papadopoulos, A. N., Malamatari, D. A., Ioannidis, E., Moisidis, G., Terzis, A. & Kessissoglou, D. P. (1998). Inorg. Chim. Acta, 272, 283-290.  [ISI] [CrossRef] [ChemPort]
Ray, M. S., Bhattacharya, R. B., Chaudhuri, S., Righi, L., Bocelli, G., Mukhopadhyay, G. & Ghosh, A. (2003). Polyhedron, 22, 617-624.  [ISI] [CSD] [CrossRef] [ChemPort]
Reddy, P. A. N., Datta, R. & Chakravarty, A. R. (2000). Inorg. Chem. Commun. 3, 322-324.  [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Wang, N., Han, X.-E. & Wen, X.-G. (2006). Acta Cryst. E62, m369-m370.  [CrossRef] [details]
Wang, N. & Li, J.-P. (2005). Acta Cryst. E61, m1223-m1225.  [CrossRef] [details]
You, Z.-L. & Zhu, H.-L. (2005). Acta Cryst. C61, m421-m423.  [CSD] [CrossRef] [details]

Acta Cryst (2010). E66, m601-m602   [ doi:10.1107/S1600536810015564 ]

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.