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Volume 67 
Part 5 
Page m603  
May 2011  

Received 10 April 2011
Accepted 11 April 2011
Online 16 April 2011

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.004 Å
R = 0.044
wR = 0.124
Data-to-parameter ratio = 11.6
Details
Open access

catena-Poly[[dinitratocopper(II)]-[mu]-4,4''-bis(1H-benzimidazol-1-yl)-1,1':4',1''-terphenyl]

aDepartment of Applied Chemistry, Yuncheng University, Yuncheng, Shanxi 044000, People's Republic of China
Correspondence e-mail: lihuiwf@gmail.com

In the title one-dimensional coordination polymer, [Cu(NO3)2(C32H22N4)]n, the Cu2+ ion (site symmetry 2) is coordinated by two nitrate O atoms and two N atoms from two 4,4'-bis(benzoimidazol-1-yl)terphenyl (L) ligands in a distorted cis-CuN2O2 square-planar coordination geometry. An alternative description of the metal coordination geometry, if long Cu-O contacts to the bonded nitrate anions are considered, is an extremely distorted cis-CuN2O4 octahedron. The complete L ligand is generated by crystallographic twofold symmetry and connects the metal ions into infinite chains propagating in [10[\overline{1}]]. The dihedral angle between the benzimidazole ring system and the adjacent benzene (B) ring is 51.12 (11)° and the dihedral angle between the B ring and the central ring is 19.45 (13)°.

Related literature

For background to benzimidazole-derived ligands in coordination polymers, see: Jin et al. (2006[Jin, C. M., Lu, H., Wu, L. Y. & Huang, J. (2006). Chem. Commun. pp. 5039-5041.]); Li et al. (2010[Li, Z. X., Hu, T. L., Ma, H., Zeng, Y. F., Li, C. J., Tong, M. L. & Bu, X. H. (2010). Cryst. Growth Des. 10, 1138-1144.]); Su et al. (2003[Su, C. Y., Cai, Y. P., Chen, C. L., Smith, M. D., Kaim, W. & zur Loye, H. C. (2003). J. Am. Chem. Soc. 125, 8595-8613.]).

[Scheme 1]

Experimental

Crystal data
  • [Cu(NO3)2(C32H22N4)]

  • Mr = 650.10

  • Monoclinic, C 2/c

  • a = 14.960 (3) Å

  • b = 15.237 (3) Å

  • c = 12.139 (2) Å

  • [beta] = 103.94 (3)°

  • V = 2685.7 (9) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.88 mm-1

  • T = 293 K

  • 0.20 × 0.18 × 0.15 mm

Data collection
  • Rigaku Mercury CCD diffractometer

  • Absorption correction: multi-scan (CrystalClear; Rigaku/MSC, 2005[Rigaku/MSC (2005). CrystalClear. Rigaku/MSC Inc., The Woodlands, Texas, USA.]) Tmin = 0.839, Tmax = 0.877

  • 13493 measured reflections

  • 2371 independent reflections

  • 2181 reflections with I > 2[sigma](I)

  • Rint = 0.044

Refinement
  • R[F2 > 2[sigma](F2)] = 0.044

  • wR(F2) = 0.124

  • S = 1.09

  • 2371 reflections

  • 204 parameters

  • H-atom parameters constrained

  • [Delta][rho]max = 0.37 e Å-3

  • [Delta][rho]min = -0.77 e Å-3

Table 1
Selected bond lengths (Å)

Cu1-N1 1.985 (2)
Cu1-O1 2.025 (2)
Cu1-O3 2.452 (3)

Data collection: CrystalClear (Rigaku/MSC, 2005[Rigaku/MSC (2005). CrystalClear. Rigaku/MSC Inc., The Woodlands, Texas, USA.]); 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: 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: HB5843 ).


Acknowledgements

We thank the College Research Program of Yuncheng University [2008114] for funding.

References

Jin, C. M., Lu, H., Wu, L. Y. & Huang, J. (2006). Chem. Commun. pp. 5039-5041.  [CSD] [CrossRef]
Li, Z. X., Hu, T. L., Ma, H., Zeng, Y. F., Li, C. J., Tong, M. L. & Bu, X. H. (2010). Cryst. Growth Des. 10, 1138-1144.  [CrossRef] [ChemPort]
Rigaku/MSC (2005). CrystalClear. Rigaku/MSC Inc., The Woodlands, Texas, USA.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Su, C. Y., Cai, Y. P., Chen, C. L., Smith, M. D., Kaim, W. & zur Loye, H. C. (2003). J. Am. Chem. Soc. 125, 8595-8613.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]


Acta Cryst (2011). E67, m603  [ doi:10.1107/S1600536811013596 ]

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