Bis[6-(1H-benzimidazol-2-yl-κN3)pyridine-2-carboxyl­ato-κ2N,O]cobalt(II) dihydrate

Han, L.; Sun, D.

doi:10.1107/S1600536811053700

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 (C-C) = 0.006 Å
R = 0.049
wR = 0.150
Data-to-parameter ratio = 13.7
Details

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

Liying Han ^a and Dajun Sun ^b ^*

^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 Co^II 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-HO and O-HO 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); Tranchemontagne et al. (2009). For related complexes with multidentate ligands, see: Eubank et al. (2011); Wang et al. (2009).

Experimental

Crystal data

[Co(C₁₃H₈N₃O₂)₂]·2H₂O
M_r = 571.41
Monoclinic, P 2₁ /c
a = 9.8602 (5) Å
b = 20.3681 (11) Å
c = 13.1069 (7) Å
= 111.453 (1)°
V = 2449.9 (2) Å³
Z = 4
Mo K radiation
= 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) T_min = 0.839, T_max = 0.915
13443 measured reflections
4827 independent reflections
3864 reflections with I > 2(I)
R_int = 0.026

Refinement

R[F² > 2(F²)] = 0.049
wR(F²) = 0.150
S = 1.06
4827 reflections
352 parameters
6 restraints
H-atom parameters constrained
_max = 0.96 e Å^-3
_min = -0.59 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N3-H3O3ⁱ	0.88	2.21	2.917 (4)	137
N6-H6O1ⁱⁱ	0.88	2.30	2.971 (4)	133
O1W-H1AO3ⁱⁱⁱ	0.87	2.26	2.923 (4)	134
O1W-H1BO4	0.86	1.87	2.727 (6)	170
O2W-H2AO2	0.89	2.21	2.962 (6)	142
O2W-H2BO1Wⁱⁱⁱ	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); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL; molecular graphics: XP in SHELXTL and Mercury (Macrae et al., 2006); software used to prepare material for publication: SHELXTL and PLATON (Spek, 2009).

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.
Eubank, J. F., Wojtas, L., Hight, M. R., Bousquet, T. Ch., Kravtsov, V. & Eddaoudi, M. (2011). J. Am. Chem. Soc. 133, 17532-17535.
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.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Spek, A. L. (2009). Acta Cryst. D65, 148-155.
Tranchemontagne, D. J., Mendoza-Cortes, J. L., O'Keeffe, M. & Yaghi, O. M. (2009). Chem. Soc. Rev. 38, 1257-1283.
Wang, G.-H., Li, Z.-G., Jia, H.-Q., Hu, N.-H. & Xu, J.-W. (2009). Acta Cryst. E65, m1568-m1569.