Poly[[aqua­(μ4-1H-benzimidazole-5,6-dicarboxyl­ato-κ4N3:O5:O5′:O6)(N,N-dimethyl­formamide-κO)cadmium(II)] dihydrate]

Wang, H.; Li, S.-J.; Song, W.-D.; Li, X.-F.; Miao, D.-L.

doi:10.1107/S1600536810003065

Volume 66
Part 2
Pages m209-m210
February 2010

Received 17 January 2010
Accepted 25 January 2010
Online 30 January 2010

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.019 Å
R = 0.086
wR = 0.223
Data-to-parameter ratio = 12.8
Details

Poly[[aqua(₄-1H-benzimidazole-5,6-dicarboxylato-⁴N³:O⁵:O^5':O⁶)(N,N-dimethylformamide-O)cadmium(II)] dihydrate]

Hao Wang,^a Shi-Jie Li,^a Wen-Dong Song,^b ^* Xiao-Fei Li ^c and Dong-Liang Miao ^a

^aCollege of Food Science and Technology, Guang Dong Ocean University, Zhanjiang 524088, People's Republic of China,^bCollege of Science, Guang Dong Ocean University, Zhanjiang 524088, People's Republic of China, and ^cCollege of Agriculture, Guang Dong Ocean University, Zhanjiang 524088, People's Republic of China
Correspondence e-mail: songwd60@163.com

In the title compound, {[Cd(C₉H₄N₂O₄)(C₃H₇NO)(H₂O)]·2H₂O}_n, the Cd^II atom is coordinated by one N atom and three O atoms from four different 1H-benzimidazole-5,6-dicarboxylate (Hbidc) ligands, one O atom from one dimethylformamide ligand, and one O atom from a water molecule in a distorted octahedral geometry. The Hbidc ligands connect the Cd atoms into a two-dimensional network parallel to (001). N-HO and O-HO hydrogen bonds involving the water molecules are observed in the crystal structure.

Related literature

For related structures of 1H-benzimidazole-5,6-dicarboxylate complexes, see: Song, Wang, Hu et al. (2009); Song, Wang, Li et al. (2009); Song, Wang, Qin et al. (2009); Wang et al. (2009).

Experimental

Crystal data

[Cd(C₉H₄N₂O₄)(C₃H₇NO)(H₂O)]·2H₂O
M_r = 443.69
Triclinic, $[P \overline 1]$
a = 7.7729 (16) Å
b = 9.1648 (18) Å
c = 11.458 (2) Å
= 102.76 (3)°
= 97.70 (3)°
= 94.96 (3)°
V = 783.2 (3) Å³
Z = 2
Mo K radiation
= 1.44 mm^-1
T = 293 K
0.29 × 0.25 × 0.21 mm

Data collection

Rigaku/MSC Mercury CCD diffractometer
Absorption correction: multi-scan (REQAB; Jacobson, 1998) T_min = 0.680, T_max = 0.752
6197 measured reflections
2800 independent reflections
1539 reflections with I > 2(I)
R_int = 0.121

Refinement

R[F² > 2(F²)] = 0.086
wR(F²) = 0.223
S = 1.14
2800 reflections
219 parameters
9 restraints
H-atom parameters constrained
_max = 2.12 e Å^-3
_min = -1.80 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1W-H1WO2ⁱ	0.84	1.92	2.757 (11)	177
O1W-H2WO4ⁱⁱ	0.84	1.85	2.649 (12)	159
O2W-H3WO1W	0.84	2.16	2.888 (9)	145
O2W-H4WO1	0.84	2.00	2.811 (11)	162
O3W-H5WO2ⁱ	0.84	2.11	2.810 (12)	140
O3W-H6WO2Wⁱⁱⁱ	0.84	2.29	2.766 (14)	117
N2-H2O2W^iv	0.86	2.18	2.970 (16)	152
Symmetry codes: (i) x+1, y, z; (ii) -x, -y, -z+1; (iii) -x+1, -y, -z+2; (iv) x, y+1, z.

Data collection: CrystalStructure (Rigaku/MSC, 2002); cell refinement: CrystalStructure; data reduction: CrystalStructure; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: ORTEPII (Johnson, 1976); software used to prepare material for publication: SHELXL97.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2275 ).

Acknowledgements

The authors acknowledge Guang Dong Ocean University for supporting this work.

References

Jacobson, R. (1998). REQAB. Private communication to the Molecular Structure Corporation, The Woodlands, Texas, USA.
Johnson, C. K. (1976). ORTEPII. Report ORNL-5138. Oak Ridge National Laboratory, Tennessee, USA.
Rigaku/MSC (2002). CrystalStructure. Rigaku/MSC, The Woodlands, Texas, USA.
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.
Song, W.-D., Wang, H., Li, S.-J., Qin, P.-W. & Hu, S.-W. (2009). Acta Cryst. E65, m702.
Song, W.-D., Wang, H., Qin, P.-W., Li, S.-J. & Hu, S.-W. (2009). Acta Cryst. E65, m672.
Wang, H., Song, W.-D., Li, S.-J., Miao, D.-L. & Liu, J. (2009). Acta Cryst. E65, m1423.

metal-organic compounds

Poly[[aqua(4-1H-benzimidazole-5,6-dicarboxylato-4N3:O5:O5':O6)(N,N-dimethylformamide-O)cadmium(II)] dihydrate]