catena-Poly[[[diaqua­(1,10-phenanthroline-κ2N,N′)cobalt(II)]-μ-1H-benzimidazole-5,6-dicarboxyl­ato-κ2N3:O6] sesquihydrate}

Xu, D.-B.; Fang, Y.; Jiang, D.-L.; Zhu, Y.; Chen, M.

doi:10.1107/S1600536812043760

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 (C-C) = 0.003 Å
Disorder in solvent or counterion
R = 0.036
wR = 0.090
Data-to-parameter ratio = 14.5
Details

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

Dong-Bo Xu,^a Yu Fang,^a De-Li Jiang,^a Yu Zhu ^a and Min Chen ^a ^*

^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 Co^II 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-HO and N-HO 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); Gao et al. (2008); Yao et al. (2008). For 1,10-phenanthroline as a bridging ligand, see: Chesnut et al. (1999). For a similar structure with Ni^II, see: Song et al. (2009).

Experimental

Crystal data

[Co(C₉H₄N₂O₄)(C₁₂H₈N₂)(H₂O)₂]·1.5H₂O
M_r = 506.33
Monoclinic, P 2₁ /c
a = 9.7250 (11) Å
b = 11.3956 (13) Å
c = 19.296 (2) Å
= 103.109 (2)°
V = 2082.7 (4) Å³
Z = 4
Mo K radiation
= 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) T_min = 0.776, T_max = 0.838
17888 measured reflections
4797 independent reflections
3761 reflections with I > 2(I)
R_int = 0.043

Refinement

R[F² > 2(F²)] = 0.036
wR(F²) = 0.090
S = 1.05
4796 reflections
331 parameters
12 restraints
H-atom parameters constrained
_max = 0.42 e Å^-3
_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-HA	D-H	HA	DA	D-HA
OW1-H1CO3	0.85	1.83	2.650 (2)	160
OW2-H2DOW3	0.83	1.88	2.693 (2)	164
N1-H1AOW1ⁱⁱⁱ	0.86	2.05	2.837 (2)	151
OW1-H1DO2^iv	0.85	1.82	2.654 (2)	168
OW2-H2CO1^iv	0.86	1.77	2.619 (2)	172 (3)
OW3-H3CO3^v	0.87	1.92	2.726 (3)	155 (3)
OW3-H3DOW4^vi	0.84	2.38	2.940 (5)	125
OW4-H4COW3^vii	0.85	2.10	2.891 (4)	154 (5)
OW4-H4COW2^vii	0.85	2.54	3.166 (4)	131 (5)
OW4-H4DO1ⁱⁱ	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); cell refinement: CrystalClear; data reduction: CrystalClear; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); 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.
Gao, Q., Gao, W.-H., Zhang, C.-Y. & Xie, Y.-B. (2008). Acta Cryst. E64, m928.
Lo, Y.-L., Wang, W.-C., Lee, G.-A. & Liu, Y.-H. (2007). Acta Cryst. E63, m2657-m2658.
Rigaku (2008). CrystalClear. Rigaku Corporation, Tokyo, Japan.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Song, W.-D., Wang, H., Hu, S.-W., Qin, P.-W. & Li, S.-J. (2009). Acta Cryst. E65, m701.
Yao, Y. L., Che, Y. X. & Zheng, J. M. (2008). Cryst. Growth Des. 8, 2299-2306.

metal-organic compounds

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