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Volume 69 
Part 6 
Pages m317-m318  
June 2013  

Received 12 October 2012
Accepted 5 May 2013
Online 15 May 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.004 Å
Disorder in solvent or counterion
R = 0.043
wR = 0.106
Data-to-parameter ratio = 10.0
Details
Open access

catena-Poly[[[diaquabis[1,2-bis(pyridin-4-yl)diazene]copper(II)]-[mu]-1,2-bis(pyridin-4-yl)diazene] bis(perchlorate)]

aEscuela de Química, Centro de Electroquímica y Energía Química (CELEQ), Universidad de Costa Rica, 2060 San José, Costa Rica, and bCentro de Investigaciones Químicas, Universidad Autónoma del Estado de Hidalgo, km. 4.5 Carretera Pachuca-Tulancingo, Col. Carboneras, Mineral de la Reforma, Hidalgo, CP 42184, Mexico
Correspondence e-mail: cristian.campos@ucr.ac.cr

In the title compound, {[Cu(C10H8N4)3(H2O)2](ClO4)2}n, the coordination environment of the cationic CuII atom is distorted octahedral, formed by pairs of symmetry-equivalent 1,2-bis(pyridin-4-yl)diazene ligands, bridging 1,2-bis(pyridin-4-yl)diazene ligands and two non-equivalent water molecules. The 1,2-bis(pyridin-4-yl)diazene molecules form polymeric chains parallel to [-101] via azo bonds which are situated about inversion centres. Since the CuII atom is situated on a twofold rotation axis, the monomeric unit has point symmetry 2. The perchlorate anions are disordered in a 0.536 (9):0.464 (9) ratio and are acceptors of water H atoms in medium-strong O-H...O hydrogen bonds with graph set R44(12). The water molecules, which are coordinated to the CuII atom and are hydrogen-bonded to the perchlorate anions, form columns parallel to [010]. A [pi]-[pi] interaction [centroid-centroid distance = 3.913 (2) Å] occurs between pyridine rings, and weak C-H...O interactions also occur.

Related literature

For the synthesis of trans-4,4'-azobispyridine, see: Brown & Granneman (1975[Brown, E. V. & Granneman, G. R. (1975). J. Am. Chem. Soc. 97, 621-627.]). For the synthesis and structures of other polymers with CuI or CuII and trans-4,4'-azobispyridine, see: He et al. (2000[He, C., Zhang, B.-G., Duan, C.-Y., Li, J.-H. & Meng, Q.-J. (2000). Eur. J. Inorg. Chem. pp. 2549-2554.]); Kondo et al. (2006[Kondo, A., Noguchi, H., Kajiro, H., Carlucci, L., Mercandelli, P., Proserpio, D. M., Tanaka, H., Kaneko, K. & Kanoh, H. (2006). J. Phys. Chem. B, 110, 25565-25567.]); Marinescu et al. (2010[Marinescu, G., Marin, G., Madalan, A. M., Vezeanu, A., Tiseanu, C. & Andruh, M. (2010). Cryst. Growth Des. 10, 2096-2103.]). For compounds with trans-4,4'-azobispyridine with other cations, including one with ZnII, see: Noro et al. (2005[Noro, S.-I., Kitagawa, S., Nakamura, T. & Wada, T. (2005). Inorg. Chem. 44, 3960-3971.]). For categorization of hydrogen bonds, see: Gilli & Gilli (2009[Gilli, G. & Gilli, P. (2009). The Nature of the Hydrogen Bond. Outline of a Comprehensive Hydrogen Bond Theory. International Union of Crystallography. Oxford Science Publications, p. 61. New York, Oxford: Oxford University Press, Inc.]). For a description of the Cambridge Crystallographic Database, see: Allen (2002[Allen, F. H. (2002). Acta Cryst. B58, 380-388.]). For the Hirshfeld test, see: Hirshfeld (1976[Hirshfeld, F. L. (1976). Acta Cryst. A32, 239-244.]); Spek (2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]).

[Scheme 1]

Experimental

Crystal data
  • [Cu(C10H8N4)3(H2O)2](ClO4)2

  • Mr = 851.29

  • Monoclinic, C 2/c

  • a = 20.5028 (6) Å

  • b = 9.5882 (4) Å

  • c = 18.7797 (6) Å

  • [beta] = 96.629 (3)°

  • V = 3667.1 (2) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.81 mm-1

  • T = 293 K

  • 0.38 × 0.37 × 0.29 mm

Data collection
  • Oxford Diffraction Xcalibur Gemini diffractometer

  • Absorption correction: analytical [CrysAlis PRO (Oxford Diffraction, 2009[Oxford Diffraction (2009). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.]) and Clark & Reid (1995[Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897.])] Tmin = 0.951, Tmax = 0.965

  • 27735 measured reflections

  • 3738 independent reflections

  • 2902 reflections with I > 3[sigma](I)

  • Rint = 0.026

Refinement
  • R[F2 > 2[sigma](F2)] = 0.043

  • wR(F2) = 0.106

  • S = 2.67

  • 3738 reflections

  • 373 parameters

  • 22 restraints

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.76 e Å-3

  • [Delta][rho]min = -0.47 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O2-H1o2...O1bi 0.86 (3) 2.14 (3) 2.913 (12) 150 (3)
O2-H1o2...O3ai 0.86 (3) 1.77 (3) 2.589 (10) 158 (3)
O1-H1o1...O2aii 0.86 (3) 2.21 (3) 2.969 (13) 147 (3)
O1-H1o1...O3bii 0.86 (3) 2.20 (3) 3.010 (11) 157 (3)
C5-H1C5...O1biii 0.93 2.51 3.346 (11) 149
C13-H1c13...O3biv 0.93 2.36 2.973 (11) 123
Symmetry codes: (i) [-x+1, y-1, -z+{\script{3\over 2}}]; (ii) [-x+1, y, -z+{\script{3\over 2}}]; (iii) x, y-1, z; (iv) [x, -y+1, z-{\script{1\over 2}}].

Data collection: CrysAlis PRO (Oxford Diffraction, 2009[Oxford Diffraction (2009). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.]); cell refinement: CrysAlis PRO; data reduction: CrysAlis PRO; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: JANA2006 (Petrícek et al., 2006[Petrícek, V., Dusek, M. & Palatinus, L. (2006). JANA2000. Institute of Physics, Czech Academy of Sciences, Prague, Czech Republic.]); molecular graphics: OLEX2 (Dolomanov et al., 2009[Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K. & Puschmann, H. (2009). J. Appl. Cryst. 42, 339-341.]) and DIAMOND (Brandenburg, 2010[Brandenburg, K. (2010). DIAMOND. Crystal Impact GbR, Bonn, Germany.]).; software used to prepare material for publication: JANA2006 and PLATON (Spek, 2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: FB2274 ).


Acknowledgements

The Universidad de Costa Rica is thanked for financial support through research project No. 804-B0-094.

References

Allen, F. H. (2002). Acta Cryst. B58, 380-388.  [ISI] [CrossRef] [details]
Brandenburg, K. (2010). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Brown, E. V. & Granneman, G. R. (1975). J. Am. Chem. Soc. 97, 621-627.  [CrossRef] [ChemPort] [ISI]
Clark, R. C. & Reid, J. S. (1995). Acta Cryst. A51, 887-897.  [CrossRef] [details]
Dolomanov, O. V., Bourhis, L. J., Gildea, R. J., Howard, J. A. K. & Puschmann, H. (2009). J. Appl. Cryst. 42, 339-341.  [ISI] [CrossRef] [ChemPort] [details]
Gilli, G. & Gilli, P. (2009). The Nature of the Hydrogen Bond. Outline of a Comprehensive Hydrogen Bond Theory. International Union of Crystallography. Oxford Science Publications, p. 61. New York, Oxford: Oxford University Press, Inc.
He, C., Zhang, B.-G., Duan, C.-Y., Li, J.-H. & Meng, Q.-J. (2000). Eur. J. Inorg. Chem. pp. 2549-2554.  [CrossRef]
Hirshfeld, F. L. (1976). Acta Cryst. A32, 239-244.  [CrossRef] [details]
Kondo, A., Noguchi, H., Kajiro, H., Carlucci, L., Mercandelli, P., Proserpio, D. M., Tanaka, H., Kaneko, K. & Kanoh, H. (2006). J. Phys. Chem. B, 110, 25565-25567.  [CSD] [CrossRef] [PubMed] [ChemPort]
Marinescu, G., Marin, G., Madalan, A. M., Vezeanu, A., Tiseanu, C. & Andruh, M. (2010). Cryst. Growth Des. 10, 2096-2103.  [CSD] [CrossRef] [ChemPort]
Noro, S.-I., Kitagawa, S., Nakamura, T. & Wada, T. (2005). Inorg. Chem. 44, 3960-3971.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Oxford Diffraction (2009). CrysAlis PRO. Oxford Diffraction Ltd, Yarnton, England.
Petrícek, V., Dusek, M. & Palatinus, L. (2006). JANA2000. Institute of Physics, Czech Academy of Sciences, Prague, Czech Republic.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [ISI] [CrossRef] [ChemPort] [details]


Acta Cryst (2013). E69, m317-m318   [ doi:10.1107/S1600536813012269 ]

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