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Volume 69 
Part 7 
Pages m400-m401  
July 2013  

Received 3 June 2013
Accepted 12 June 2013
Online 19 June 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.006 Å
Some non-H atoms missing,
R = 0.046
wR = 0.124
Data-to-parameter ratio = 14.7
Details
Open access

Poly[dimethylammonium [([mu]2-benzene-1,2-dicarboxylato-[kappa]2O1:O3)[[mu]2-3-(pyridin-4-yl)-1H-pyrazol-1-ido-[kappa]2N1:N3]cuprate(II)]]

aDepartment of Chemistry, Hengshui University, Heng Shui 053000, People's Republic of China
Correspondence e-mail: 281828541@qq.com

In the title complex, {(C2H8N)[Cu(C8H4O4)(C8H6N3)]}n, there are two CuII cations (each located on a centre of inversion), one benzene-1,2-dicarboxylate dianion, one 3-(pyridin-4-yl)-1H-pyrazol-1-ide anion and one dimethylammonium cation in the asymmetric unit. The dimethylammonium cation was highly disordered and was treated with the SQUEEZE routine in PLATON [Spek (2009[Spek, A. L. (2009). Acta Cryst. D65, 148-155.]). Acta Cryst. D65, 148-155]; the crystallographic data takes into account the presence of the cation. Each CuII cation exhibits a square-planar coordination geometry. A benzene-1,2-dicarboxylate dianion bridges two CuII cations, building a linear chain along [001]. The chains are connected by 3-(pyridin-4-yl)-1H-pyrazol-1-ide anions, constructing a layer parallel to (101). The layers are assembled into a three-dimensional supramolecular network through C-H...[pi] interactions.

Related literature

For background to complexes derived from 4-(1H-pyrazol-3-yl)pyridine, see: Davies et al. (2005[Davies, G. M., Adams, H. & Ward, M. D. (2005). Acta Cryst. C61, m485-m487.]); Tan et al. (2011[Tan, Z.-D., Tan, F.-J., Tan, B. & Yi, Z.-W. (2011). Acta Cryst. E67, m1512.]); For background to complexes derived from benzene-1,2-dicarboxylic acid, see: Guo (2010[Guo, J.-H. (2010). Acta Cryst. E66, m1206.]); Yan et al. (2012[Yan, Y., Yu, W.-J. & Chen, J. (2012). Acta Cryst. E68, m129-m130.]).

[Scheme 1]

Experimental

Crystal data
  • (C2H8N)[Cu(C8H4O4)(C8H6N3)]

  • Mr = 417.91

  • Triclinic, [P \overline 1]

  • a = 8.0978 (16) Å

  • b = 9.7244 (19) Å

  • c = 11.694 (2) Å

  • [alpha] = 89.26 (3)°

  • [beta] = 89.12 (3)°

  • [gamma] = 89.64 (3)°

  • V = 920.7 (3) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.22 mm-1

  • T = 293 K

  • 0.24 × 0.22 × 0.21 mm

Data collection
  • Rigaku SCXmini diffractometer

  • Absorption correction: multi-scan (ABSCOR; Higashi, 1995[Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.759, Tmax = 0.784

  • 8051 measured reflections

  • 3236 independent reflections

  • 2486 reflections with I > 2[sigma](I)

  • Rint = 0.044

Refinement
  • R[F2 > 2[sigma](F2)] = 0.046

  • wR(F2) = 0.124

  • S = 1.06

  • 3236 reflections

  • 220 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.50 e Å-3

  • [Delta][rho]min = -0.30 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

Cg1 is the centroid of the N2,N3,C9-C11 ring.

D-H...A D-H H...A D...A D-H...A
C7-H7...Cg1i 0.93 2.85 3.698 (5) 152
Symmetry code: (i) x, y+1, z.

Data collection: CrystalClear (Rigaku, 2005[Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.]); cell refinement: CrystalClear; data reduction: CrystalClear; 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: ORTEPII (Johnson, 1976[Johnson, C. K. (1976). ORTEPII. Report ORNL-5138, Oak Ridge National Laboratory, Tennessee, USA.]) and DIAMOND (Brandenburg, 1999[Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: TK5232 ).


Acknowledgements

The author acknowledges Hengshui University for supporting this work.

References

Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Davies, G. M., Adams, H. & Ward, M. D. (2005). Acta Cryst. C61, m485-m487.  [CSD] [CrossRef] [IUCr Journals]
Guo, J.-H. (2010). Acta Cryst. E66, m1206.  [CSD] [CrossRef] [IUCr Journals]
Higashi, T. (1995). ABSCOR. Rigaku Corporation, Tokyo, Japan.
Johnson, C. K. (1976). ORTEPII. Report ORNL-5138, Oak Ridge National Laboratory, Tennessee, USA.
Rigaku (2005). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]
Tan, Z.-D., Tan, F.-J., Tan, B. & Yi, Z.-W. (2011). Acta Cryst. E67, m1512.  [CSD] [CrossRef] [IUCr Journals]
Yan, Y., Yu, W.-J. & Chen, J. (2012). Acta Cryst. E68, m129-m130.  [CSD] [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2013). E69, m400-m401   [ doi:10.1107/S1600536813016334 ]

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