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Volume 68 
Part 12 
Pages m1440-m1441  
December 2012  

Received 17 September 2012
Accepted 22 October 2012
Online 3 November 2012

Key indicators
Single-crystal X-ray study
T = 173 K
Mean [sigma](C-C) = 0.003 Å
Disorder in solvent or counterion
R = 0.036
wR = 0.090
Data-to-parameter ratio = 14.5
Details
Open access

catena-Poly[[[diaqua(1,10-phenanthroline-[kappa]2N,N')cobalt(II)]-[mu]-1H-benzimidazole-5,6-dicarboxylato-[kappa]2N3:O6] sesquihydrate}

aSchool of Chemistry and Chemical Engineering, Jiangsu University, Zhenjiang 212013, People's Republic of China
Correspondence e-mail: chenmin3226@sina.com

In the title compound, {[Co(C9H4N2O4)(C12H8N2)(H2O)2]·1.5H2O}n, the CoII atom is hexacoordinated by one N atom and one O atom from two symmetry-related 1H-benzimidazole-5,6-dicarboxylate ligands, two N atoms from one 1,10-phenanthroline ligand (phen) and two water molecules. The dihedral angle between the 1H-benzimidazole-5,6-dicarboxylate and 1,10-phenanthroline ligands is 74.41 (4)°. The crystal packing is governed by intermolecular O-H...O and N-H...O hydrogen-bonding interactions. All water (coordinating and lattice) molecules take part in the hydrogen-bonding interactions. In addition, there are [pi]-[pi] stacking interactions between inversion-related phen ligands, the shortest centroid-centroid distance being 3.7536 (16) Å. One of the two lattice water molecules shows half-occupancy.

Related literature

For general background to 1H-benzoimidazole-5,6-dicarboxylate complexes, see: Lo et al. (2007[Lo, Y.-L., Wang, W.-C., Lee, G.-A. & Liu, Y.-H. (2007). Acta Cryst. E63, m2657-m2658.]); Gao et al. (2008[Gao, Q., Gao, W.-H., Zhang, C.-Y. & Xie, Y.-B. (2008). Acta Cryst. E64, m928.]); Yao et al. (2008[Yao, Y. L., Che, Y. X. & Zheng, J. M. (2008). Cryst. Growth Des. 8, 2299-2306.]). For 1,10-phenanthroline as a bridging ligand, see: Chesnut et al. (1999[Chesnut, D. J., Haushalter, R. C. & Zubieta, J. (1999). Inorg. Chim. Acta, 292, 41-51.]). For a similar structure with NiII, see: Song et al. (2009[Song, W.-D., Wang, H., Hu, S.-W., Qin, P.-W. & Li, S.-J. (2009). Acta Cryst. E65, m701.]).

[Scheme 1]

Experimental

Crystal data
  • [Co(C9H4N2O4)(C12H8N2)(H2O)2]·1.5H2O

  • Mr = 506.33

  • Monoclinic, P 21 /c

  • a = 9.7250 (11) Å

  • b = 11.3956 (13) Å

  • c = 19.296 (2) Å

  • [beta] = 103.109 (2)°

  • V = 2082.7 (4) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.88 mm-1

  • T = 173 K

  • 0.30 × 0.24 × 0.20 mm

Data collection
  • Rigaku Saturn724+ diffractometer

  • Absorption correction: multi-scan (CrystalClear; Rigaku, 2008[Rigaku (2008). CrystalClear. Rigaku Corporation, Tokyo, Japan.]) Tmin = 0.776, Tmax = 0.838

  • 17888 measured reflections

  • 4797 independent reflections

  • 3761 reflections with I > 2[sigma](I)

  • Rint = 0.043

Refinement
  • R[F2 > 2[sigma](F2)] = 0.036

  • wR(F2) = 0.090

  • S = 1.05

  • 4796 reflections

  • 331 parameters

  • 12 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.42 e Å-3

  • [Delta][rho]min = -0.49 e Å-3

Table 1
Selected bond lengths (Å)

N2-Co1i 2.1304 (17)
N3-Co1 2.1412 (18)
N4-Co1 2.1478 (18)
O4-Co1 2.0582 (14)
OW1-Co1 2.1859 (15)
OW2-Co1 2.0689 (16)
Symmetry codes: (i) [-x+2, y+{\script{1\over 2}}, -z+{\script{3\over 2}}]; (ii) [-x+2, y-{\script{1\over 2}}, -z+{\script{3\over 2}}].

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
OW1-H1C...O3 0.85 1.83 2.650 (2) 160
OW2-H2D...OW3 0.83 1.88 2.693 (2) 164
N1-H1A...OW1iii 0.86 2.05 2.837 (2) 151
OW1-H1D...O2iv 0.85 1.82 2.654 (2) 168
OW2-H2C...O1iv 0.86 1.77 2.619 (2) 172 (3)
OW3-H3C...O3v 0.87 1.92 2.726 (3) 155 (3)
OW3-H3D...OW4vi 0.84 2.38 2.940 (5) 125
OW4-H4C...OW3vii 0.85 2.10 2.891 (4) 154 (5)
OW4-H4C...OW2vii 0.85 2.54 3.166 (4) 131 (5)
OW4-H4D...O1ii 0.86 2.06 2.837 (4) 151
Symmetry codes: (ii) [-x+2, y-{\script{1\over 2}}, -z+{\script{3\over 2}}]; (iii) x+1, y, z; (iv) [-x+1, y-{\script{1\over 2}}, -z+{\script{3\over 2}}]; (v) [x, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]; (vi) x-1, y, z; (vii) -x+2, -y, -z+2.

Data collection: CrystalClear (Rigaku, 2008[Rigaku (2008). 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: 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: ZQ2183 ).


Acknowledgements

The authors thank Jiangsu University for supporting this work.

References

Chesnut, D. J., Haushalter, R. C. & Zubieta, J. (1999). Inorg. Chim. Acta, 292, 41-51.  [ISI] [CSD] [CrossRef] [ChemPort]
Gao, Q., Gao, W.-H., Zhang, C.-Y. & Xie, Y.-B. (2008). Acta Cryst. E64, m928.  [CrossRef] [details]
Lo, Y.-L., Wang, W.-C., Lee, G.-A. & Liu, Y.-H. (2007). Acta Cryst. E63, m2657-m2658.  [CSD] [CrossRef] [details]
Rigaku (2008). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Song, W.-D., Wang, H., Hu, S.-W., Qin, P.-W. & Li, S.-J. (2009). Acta Cryst. E65, m701.  [CSD] [CrossRef] [details]
Yao, Y. L., Che, Y. X. & Zheng, J. M. (2008). Cryst. Growth Des. 8, 2299-2306.  [CSD] [CrossRef] [ChemPort]


Acta Cryst (2012). E68, m1440-m1441   [ doi:10.1107/S1600536812043760 ]

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