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Volume 68 
Part 1 
Page m74  
January 2012  

Received 4 December 2011
Accepted 13 December 2011
Online 21 December 2011

Key indicators
Single-crystal X-ray study
T = 185 K
Mean [sigma](C-C) = 0.006 Å
R = 0.049
wR = 0.150
Data-to-parameter ratio = 13.7
Details
Open access

Bis[6-(1H-benzimidazol-2-yl-[kappa]N3)pyridine-2-carboxylato-[kappa]2N,O]cobalt(II) dihydrate

aDepartment of Gynecology, The Second Hospital of Jilin University, Changchun 130041, People's Republic of China, and bDepartment of Vascular Surgery, The China-Japan Union Hospital of Jilin University, Changchun 130033, People's Republic of China
Correspondence e-mail: doctorsundj@163.com

In the title compound, [Co(C13H8N3O2)2]·2H2O, the CoII atom has a distorted octahedral environment defined by four N atoms and two O atoms from two 6-(1H-benzimidazol-2-yl)pyridine-2-carboxylate ligands. In the crystal, the complex molecules and uncoordinated water molecules are linked via N-H...O and O-H...O hydrogen bonds, forming a two-dimensional supramolecular structure parallel to (010). [pi]-[pi] interactions are present between the imidazole, pyridine and benzene rings [centroid-centroid distances = 3.528 (2), 3.592 (2), 3.680 (2) and 3.732 (3) Å].

Related literature

For background to supramolecular architectures, see: Chun et al. (2005[Chun, H., Dybtsev, D., Kim, H. & Kim, K. (2005). Chem. Eur. J. 11, 3521-3529.]); Tranchemontagne et al. (2009[Tranchemontagne, D. J., Mendoza-Cortes, J. L., O'Keeffe, M. & Yaghi, O. M. (2009). Chem. Soc. Rev. 38, 1257-1283.]). For related complexes with multidentate ligands, see: Eubank et al. (2011[Eubank, J. F., Wojtas, L., Hight, M. R., Bousquet, T. Ch., Kravtsov, V. & Eddaoudi, M. (2011). J. Am. Chem. Soc. 133, 17532-17535.]); Wang et al. (2009[Wang, G.-H., Li, Z.-G., Jia, H.-Q., Hu, N.-H. & Xu, J.-W. (2009). Acta Cryst. E65, m1568-m1569.]).

[Scheme 1]

Experimental

Crystal data
  • [Co(C13H8N3O2)2]·2H2O

  • Mr = 571.41

  • Monoclinic, P 21 /c

  • a = 9.8602 (5) Å

  • b = 20.3681 (11) Å

  • c = 13.1069 (7) Å

  • [beta] = 111.453 (1)°

  • V = 2449.9 (2) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.76 mm-1

  • T = 185 K

  • 0.24 × 0.15 × 0.12 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2001[Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.839, Tmax = 0.915

  • 13443 measured reflections

  • 4827 independent reflections

  • 3864 reflections with I > 2[sigma](I)

  • Rint = 0.026

Refinement
  • R[F2 > 2[sigma](F2)] = 0.049

  • wR(F2) = 0.150

  • S = 1.06

  • 4827 reflections

  • 352 parameters

  • 6 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.96 e Å-3

  • [Delta][rho]min = -0.59 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
N3-H3...O3i 0.88 2.21 2.917 (4) 137
N6-H6...O1ii 0.88 2.30 2.971 (4) 133
O1W-H1A...O3iii 0.87 2.26 2.923 (4) 134
O1W-H1B...O4 0.86 1.87 2.727 (6) 170
O2W-H2A...O2 0.89 2.21 2.962 (6) 142
O2W-H2B...O1Wiii 0.91 2.05 2.867 (8) 149
Symmetry codes: (i) -x+1, -y+1, -z+2; (ii) -x, -y+1, -z+1; (iii) -x, -y+1, -z+2.

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXTL; molecular graphics: XP in SHELXTL and Mercury (Macrae et al., 2006[Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453-457.]); software used to prepare material for publication: SHELXTL 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: HY2495 ).


Acknowledgements

The authors thank Jilin University for supporting this work.

References

Bruker (2001). SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Chun, H., Dybtsev, D., Kim, H. & Kim, K. (2005). Chem. Eur. J. 11, 3521-3529.  [CSD] [CrossRef] [PubMed] [ChemPort]
Eubank, J. F., Wojtas, L., Hight, M. R., Bousquet, T. Ch., Kravtsov, V. & Eddaoudi, M. (2011). J. Am. Chem. Soc. 133, 17532-17535.  [CrossRef] [ChemPort] [PubMed]
Macrae, C. F., Edgington, P. R., McCabe, P., Pidcock, E., Shields, G. P., Taylor, R., Towler, M. & van de Streek, J. (2006). J. Appl. Cryst. 39, 453-457.  [ISI] [CrossRef] [ChemPort] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Spek, A. L. (2009). Acta Cryst. D65, 148-155.  [ISI] [CrossRef] [details]
Tranchemontagne, D. J., Mendoza-Cortes, J. L., O'Keeffe, M. & Yaghi, O. M. (2009). Chem. Soc. Rev. 38, 1257-1283.  [ISI] [CrossRef] [PubMed] [ChemPort]
Wang, G.-H., Li, Z.-G., Jia, H.-Q., Hu, N.-H. & Xu, J.-W. (2009). Acta Cryst. E65, m1568-m1569.  [CSD] [CrossRef] [details]


Acta Cryst (2012). E68, m74  [ doi:10.1107/S1600536811053700 ]

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