[Journal logo]

Volume 65 
Part 10 
Pages m1247-m1248  
October 2009  

Received 7 September 2009
Accepted 21 September 2009
Online 26 September 2009

[hy2229sup1]
[3d view]

[Cited in]
[Download citation]
Key indicators
Single-crystal X-ray study
T = 100 K
Mean [sigma](C-C) = 0.004 Å
R = 0.038
wR = 0.086
Data-to-parameter ratio = 21.7
Details
Open access

([mu]-3-Acetyl-5-carboxylato-4-methylpyrazolido-1:2[kappa]4N2,O3:N1,O5)-[mu]-chlorido-tetrapyridine-1[kappa]2N,2[kappa]2N-chlorido-1[kappa]Cl-dicopper(II) propan-2-ol solvate

Sergey Malinkin,a* Larisa Penkova,a Vadim A. Pavlenko,a Matti Haukkab and Igor O. Fritskya

aDepartment of Chemistry, Kiev National Taras Shevchenko University, Volodymyrska Street 64, 01601 Kiev, Ukraine, and bDepartment of Chemistry, University of Joensuu, PO Box 111, FI-80101 Joensuu, Finland
Correspondence e-mail: malinachem@mail.ru

The title compound, [Cu2(C7H6N2O3)Cl2(C5H5N)4]·C3H8O, is a binuclear pyrazolate complex, in which the two CuII atoms have different coordination numbers and are connected by a bridging Cl atom. One CuII atom has a distorted square-pyramidal coordination environment formed by two pyridine N atoms, one bridging Cl atom and an N,O-chelating pyrazolate ligand. The other CuII atom adopts an octahedral geometry defined by two pyridine N atoms at the axial positions, two Cl atoms and the coordinated pyrazolate ligand in the equatorial plane. An O-H...O hydrogen bond connects the complex molecules and propan-2-ol solvent molecules into pairs. These pairs form columns along the a axis.

Related literature

For other 3,5-substituted-1H-pyrazolate complexes, see: Driessen et al. (2003[Driessen, W. L., Chang, L., Finnazo, C., Gorter, S., Rehorst, D., Reedijk, J., Lutz, M. & Spek, A. L. (2003). Inorg. Chim. Acta, 350, 25-31.]); Eisenwiener et al. (2007[Eisenwiener, A., Neuburger, M. & Kaden, T. A. (2007). Dalton Trans. pp. 218-233.]); King et al. (2004[King, P., Clerac, R., Anson, C. E. & Powell, A. K. (2004). Dalton Trans. pp. 852-861.]); Li (2005[Li, X.-H. (2005). Acta Cryst. E61, m2405-m2407.]); Penkova et al. (2008[Penkova, L., Demeshko, S., Haukka, M., Pavlenko, V. A., Meyer, F. & Fritsky, I. O. (2008). Z. Anorg. Allg. Chem. 634, 2428-2436.]); Tretyakov et al. (2008[Tretyakov, E. V., Tolstikov, S. E., Gorelik, E. V., Fedin, M. V., Romanenko, G. V., Bogomyakov, A. S. & Ovcharenko, V. I. (2008). Polyhedron, 27, 739-749.]).

[Scheme 1]

Experimental

Crystal data

  • [Cu2(C7H6N2O3)Cl2(C5H5N)4]·C3H8O

  • Mr = 740.61

  • Monoclinic, P 21 /c

  • a = 16.4130 (4) Å

  • b = 12.6351 (2) Å

  • c = 16.5739 (4) Å

  • [beta] = 107.2145 (12)°

  • V = 3283.12 (12) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.50 mm-1

  • T = 100 K

  • 0.24 × 0.16 × 0.13 mm
Data collection

  • Nonius KappaCCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.718, Tmax = 0.832

  • 45344 measured reflections

  • 8719 independent reflections

  • 6355 reflections with I > 2[sigma](I)

  • Rint = 0.058
Refinement

  • R[F2 > 2[sigma](F2)] = 0.038

  • wR(F2) = 0.086

  • S = 1.03

  • 8719 reflections

  • 402 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.59 e Å-3

  • [Delta][rho]min = -0.47 e Å-3

Table 1
Selected bond lengths (Å)

Cu1-N1 1.9814 (18)
Cu1-N3 2.0609 (18)
Cu1-N4 2.0371 (18)
Cu1-O1 2.5878 (17)
Cu1-Cl1 2.2634 (6)
Cu1-Cl2 2.8621 (6)
Cu2-N2 1.9549 (18)
Cu2-N5 2.0097 (18)
Cu2-N6 2.1987 (18)
Cu2-O2 2.0340 (16)
Cu2-Cl2 2.3036 (6)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O4-H3O...O3 0.95 1.82 2.734 (3) 160

Data collection: COLLECT (Nonius, 1998[Nonius (1998). COLLECT. Nonius BV, Delft, The Netherlands.]); cell refinement: DENZO/SCALEPACK (Otwinowski & Minor, 1997[Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.]); data reduction: DENZO/SCALEPACK; program(s) used to solve structure: SIR2004 (Burla et al., 2005[Burla, M. C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano, G. L., De Caro, L., Giacovazzo, C., Polidori, G. & Spagna, R. (2005). J. Appl. Cryst. 38, 381-388.]); 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: HY2229 ).

Acknowledgements

The authors thank the Ministry of Education and Science of Ukraine for financial support (grant No. F28/241-2009).

References

Burla, M. C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano, G. L., De Caro, L., Giacovazzo, C., Polidori, G. & Spagna, R. (2005). J. Appl. Cryst. 38, 381-388.  [ISI] [CrossRef] [ChemPort] [details]
Driessen, W. L., Chang, L., Finnazo, C., Gorter, S., Rehorst, D., Reedijk, J., Lutz, M. & Spek, A. L. (2003). Inorg. Chim. Acta, 350, 25-31.  [ISI] [CSD] [CrossRef] [ChemPort]
Eisenwiener, A., Neuburger, M. & Kaden, T. A. (2007). Dalton Trans. pp. 218-233.  [CSD] [CrossRef]
Farrugia, L. J. (1997). J. Appl. Cryst. 30, 565.  [CrossRef] [details]
King, P., Clerac, R., Anson, C. E. & Powell, A. K. (2004). Dalton Trans. pp. 852-861.  [CSD] [CrossRef]
Li, X.-H. (2005). Acta Cryst. E61, m2405-m2407.  [CSD] [CrossRef] [details]
Nonius (1998). COLLECT. Nonius BV, Delft, The Netherlands.
Otwinowski, Z. & Minor, W. (1997). Methods in Enzymology, Vol. 276, Macromolecular Crystallography, Part A, edited by C. W. Carter Jr & R. M. Sweet, pp. 307-326. New York: Academic Press.
Penkova, L., Demeshko, S., Haukka, M., Pavlenko, V. A., Meyer, F. & Fritsky, I. O. (2008). Z. Anorg. Allg. Chem. 634, 2428-2436.  [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Tretyakov, E. V., Tolstikov, S. E., Gorelik, E. V., Fedin, M. V., Romanenko, G. V., Bogomyakov, A. S. & Ovcharenko, V. I. (2008). Polyhedron, 27, 739-749.  [ISI] [CSD] [CrossRef] [ChemPort]

Acta Cryst (2009). E65, m1247-m1248   [ doi:10.1107/S1600536809038276 ]

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.