Diaqua­bis­(4-carb­oxy-2-propyl-1H-imidazole-5-carboxyl­ato-κ2N3,O4)cobalt(II) N,N-dimethyl­formamide disolvate

Li, S.-J.; Ji, L.-L.; Song, W.-D.; Hu, S.-W.; Qin, P.-W.

doi:10.1107/S1600536810042054

Volume 66
Part 11
Pages m1443-m1444
November 2010

Received 4 October 2010
Accepted 17 October 2010
Online 23 October 2010

Key indicators
Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.005 Å
R = 0.046
wR = 0.120
Data-to-parameter ratio = 12.5
Details

Diaquabis(4-carboxy-2-propyl-1H-imidazole-5-carboxylato-²N³,O⁴)cobalt(II) N,N-dimethylformamide disolvate

Shi-Jie Li,^a Li-Li Ji,^a Wen-Dong Song,^b ^* Shi-Wei Hu ^a and Pei-Wen Qin ^c

^aCollege of Food Science and Technology, Guangdong Ocean University, Zhanjiang 524088, People's Republic of China,^bCollege of Science, Guangdong 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 complex, [Co(C₈H₉N₂O₄)₂(H₂O)₂]·2C₃H₇NO, the Co^II cation (site symmetry $[\overline1]$ ) is six-coordinated by two 5-carboxy-2-propyl-1H-imidazole-4-carboxylate ligands and two water molecules in a distorted octahedral environment. In the crystal structure, the complex molecules and dimethylformamide solvent molecules are linked by extensive O-HO and N-HO hydrogen bonding into sheets lying parallel to (21 $[\overline{1}]$ ).

Related literature

For our past work based on the 2-propyl-1H-imidazole-4,5-carboxylate (H₃pimda) ligand, see: Yan et al. (2010); Li et al. (2010a,b,c,d); Song et al. (2010); He et al. (2010); Fan et al. (2010). For Co complexes of a similar ligand, see: Lu et al. (2008); Wang et al. (2004).

Experimental

Crystal data

[Co(C₈H₉N₂O₄)₂(H₂O)₂]·2C₃H₇NO
M_r = 635.50
Triclinic, $[P \overline 1]$
a = 7.3325 (7) Å
b = 9.330 (1) Å
c = 11.2255 (12) Å
= 76.930 (1)°
= 87.564 (2)°
= 68.857 (1)°
V = 697.06 (12) Å³
Z = 1
Mo K radiation
= 0.69 mm^-1
T = 298 K
0.28 × 0.16 × 0.12 mm

Data collection

Bruker SMART 1000 CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2007) T_min = 0.831, T_max = 0.922
3602 measured reflections
2393 independent reflections
1785 reflections with I > 2(I)
R_int = 0.025

Refinement

R[F² > 2(F²)] = 0.046
wR(F²) = 0.120
S = 1.06
2393 reflections
191 parameters
H-atom parameters constrained
_max = 0.37 e Å^-3
_min = -0.52 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O5-H5DO4ⁱ	0.83	2.12	2.946 (3)	174
O5-H5CO4ⁱⁱ	0.83	1.94	2.773 (3)	175
O2-H2AO3	0.82	1.66	2.478 (3)	177
N2-H2O6ⁱⁱⁱ	0.86	1.84	2.685 (4)	166
Symmetry codes: (i) x-1, y+1, z; (ii) -x+1, -y, -z+1; (iii) x+1, y-1, z.

Data collection: SMART (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; 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: JH2216 ).

Acknowledgements

The work was supported by the Nonprofit Industry Foundation of the National Ocean Administration of China (grant No. 2000905021), the Guangdong Oceanic Fisheries Technology Promotion Project [grant No. A2009003-018(c)], the Guangdong Chinese Academy of Science comprehensive strategic cooperation project (grant No. 2009B091300121), the Guangdong Province key project in the field of social development [grant No. A2009011-007(c)], the Science and Technology Department of Guangdong Province Project (grant No. 00087061110314018) and the Guangdong Natural Science Fundation (No. 9252408801000002)

References

Bruker (2007). SMART, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Fan, R.-Z., Li, S.-J., Song, W.-D., Miao, D.-L. & Hu, S.-W. (2010). Acta Cryst. E66, m897-m898.
He, L.-Z., Li, S.-J., Song, W.-D. & Miao, D.-L. (2010). Acta Cryst. E66, m896.
Li, S.-J., Dong, J.-J., Song, W.-D., Yan, J.-B. & Li, S.-H. (2010d). Acta Cryst. E66, m1175-m1176.
Li, S.-J., Miao, D.-L., Song, W.-D., Li, S.-H. & Yan, J.-B. (2010c). Acta Cryst. E66, m1096-m1097.
Li, S.-J., Song, W.-D., Li, S.-H., Dong, J.-J. & Yan, J.-B. (2010b). Acta Cryst. E66, m1094-m1095.
Li, S.-J., Yan, J.-B., Song, W.-D., Wang, H. & Miao, D.-L. (2010a). Acta Cryst. E66, m280.
Lu, W. G., Gu, J. Z., Jiang, L., Tan, Y. M. & Lu, T. B. (2008). Cryst. Growth Des. 8, 192-199.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Song, W.-D., Yan, J.-B., Li, S.-J., Miao, D.-L. & Li, X.-F. (2010). Acta Cryst. E66, m53.
Wang, Y.-L., Cao, R. & Bi, W.-H. (2004). Acta Cryst. C60, m609-m611.
Yan, J.-B., Li, S.-J., Song, W.-D., Wang, H. & Miao, D.-L. (2010). Acta Cryst. E66, m99.

metal-organic compounds

Diaquabis(4-carboxy-2-propyl-1H-imidazole-5-carboxylato-2N3,O4)cobalt(II) N,N-dimethylformamide disolvate