Aqua­(3-fluoro­benzoato-κO)(3-fluoro­benzoato-κ2O,O′)(1,10-phenanthroline-κ2N,N′)cobalt(II)

Wang, X.-H.; Sun, L.-M.

doi:10.1107/S1600536811051804

Volume 68
Part 1
Page m16
January 2012

Received 25 November 2011
Accepted 1 December 2011
Online 7 December 2011

Key indicators
Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.005 Å
R = 0.038
wR = 0.105
Data-to-parameter ratio = 12.0
Details

Aqua(3-fluorobenzoato-O)(3-fluorobenzoato-²O,O')(1,10-phenanthroline-²N,N')cobalt(II)

Xiao-Hui Wang ^a ^* and Li-Mei Sun ^a

^aCollege of Chemistry and Chemical Engineering, Inner Mongolia University for Nationalities, 028042 Tongliao, Inner Mongolia, People's Republic of China
Correspondence e-mail: WXH1009@126.com

In the title compound, [Co(C₇H₄FO₂)₂(C₁₂H₈N₂)(H₂O)], the Co^II ion is coordinated by two O atoms from one 3-fluorobenzoate (fb) ligand and one O atom from another fb ligand, two N atoms from the 1,10-phenanthroline ligand and a water molecule in a distorted octahedral geometry. An intramolecular O-HO hydrogen bond occurs. Intermolecular O-HO hydrogen bonds link pairs of molecules into centrosymmetric dimers. Weak intermolecular C-HO and C-HF hydrogen bonds and [pi] - [pi] interactions between the aromatic rings [shortest centroid-centroid distance = 3.4962 (2) Å] further stabilize the crystal packing.

Related literature

For the crystal structures of related metal complexes with 3-fluorobenzoic acid, see: Sevryugina et al. (2007); Motokawa et al. (2008); Wein et al. (2009); Yin (2011); Miyasaka et al. (2011).

Experimental

Crystal data

[Co(C₇H₄FO₂)₂(C₁₂H₈N₂)(H₂O)]
M_r = 535.35
Triclinic, $[P \overline 1]$
a = 8.6517 (7) Å
b = 12.1233 (10) Å
c = 12.6752 (10) Å
= 64.045 (1)°
= 88.879 (1)°
= 72.892 (1)°
V = 1133.22 (16) Å³
Z = 2
Mo K radiation
= 0.82 mm^-1
T = 298 K
0.30 × 0.20 × 0.12 mm

Data collection

Bruker SMART APEXII CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2005) T_min = 0.792, T_max = 0.908
4724 measured reflections
3980 independent reflections
3119 reflections with I > 2(I)
R_int = 0.032

Refinement

R[F² > 2(F²)] = 0.038
wR(F²) = 0.105
S = 1.03
3980 reflections
333 parameters
H atoms treated by a mixture of independent and constrained refinement
_max = 0.73 e Å^-3
_min = -0.39 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O5-H1O4	0.85 (1)	1.76 (1)	2.584 (3)	165 (3)
O5-H2O1ⁱ	0.85 (1)	1.89 (1)	2.734 (3)	176 (3)
C22-H22O5ⁱⁱ	0.93	2.52	3.332 (4)	147
C5-H5AF2ⁱⁱⁱ	0.93	2.55	3.303 (4)	138
Symmetry codes: (i) -x+1, -y+1, -z; (ii) -x+1, -y, -z; (iii) x-1, y+1, z.

Data collection: APEX2 (Bruker, 2005); cell refinement: SAINT (Bruker, 2005); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008); program(s) used to refine structure: SHELXTL; molecular graphics: SHELXTL; software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: CV5209 ).

Acknowledgements

This work was supported by the National Natural Science Foundation of China (grant No. 21003070).

References

Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Miyasaka, H., Motokawa, N., Atsuumi, R., Kamo, H., Asai, Y. & Yamashita, M. (2011). Dalton Trans. 40, 673-682.
Motokawa, N., Miyasaka, H., Yamashita, M. & Dunbar, K. R. (2008). Angew. Chem. Int. Ed. Engl. 47, 7760-7763.
Sevryugina, Y., Hietsoi, O. & Petrukhina, M. A. (2007). Chem. Commun. 691, 3853-3855.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Wein, A. N., Cordeiro, R., Owens, N., Olivier, H., Hardcastle, K. I. & Eichler, J. F. (2009). J. Fluorine Chem. 130, 197-203.
Yin, X. (2011). Acta Cryst. E67, m564-m565.

metal-organic compounds

Aqua(3-fluorobenzoato-O)(3-fluorobenzoato-2O,O')(1,10-phenanthroline-2N,N')cobalt(II)