[Journal logo]

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 [sigma](C-C) = 0.005 Å
R = 0.038
wR = 0.105
Data-to-parameter ratio = 12.0
Details
Open access

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

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 CoII 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-H...O hydrogen bond occurs. Intermolecular O-H...O hydrogen bonds link pairs of molecules into centrosymmetric dimers. Weak intermolecular C-H...O and C-H...F 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[Sevryugina, Y., Hietsoi, O. & Petrukhina, M. A. (2007). Chem. Commun. 691, 3853-3855.]); Motokawa et al. (2008[Motokawa, N., Miyasaka, H., Yamashita, M. & Dunbar, K. R. (2008). Angew. Chem. Int. Ed. Engl. 47, 7760-7763.]); Wein et al. (2009[Wein, A. N., Cordeiro, R., Owens, N., Olivier, H., Hardcastle, K. I. & Eichler, J. F. (2009). J. Fluorine Chem. 130, 197-203.]); Yin (2011[Yin, X. (2011). Acta Cryst. E67, m564-m565.]); Miyasaka et al. (2011[Miyasaka, H., Motokawa, N., Atsuumi, R., Kamo, H., Asai, Y. & Yamashita, M. (2011). Dalton Trans. 40, 673-682.]).

[Scheme 1]

Experimental

Crystal data
  • [Co(C7H4FO2)2(C12H8N2)(H2O)]

  • Mr = 535.35

  • Triclinic, [P \overline 1]

  • a = 8.6517 (7) Å

  • b = 12.1233 (10) Å

  • c = 12.6752 (10) Å

  • [alpha] = 64.045 (1)°

  • [beta] = 88.879 (1)°

  • [gamma] = 72.892 (1)°

  • V = 1133.22 (16) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 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[Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]) Tmin = 0.792, Tmax = 0.908

  • 4724 measured reflections

  • 3980 independent reflections

  • 3119 reflections with I > 2[sigma](I)

  • Rint = 0.032

Refinement
  • R[F2 > 2[sigma](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

  • [Delta][rho]max = 0.73 e Å-3

  • [Delta][rho]min = -0.39 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O5-H1...O4 0.85 (1) 1.76 (1) 2.584 (3) 165 (3)
O5-H2...O1i 0.85 (1) 1.89 (1) 2.734 (3) 176 (3)
C22-H22...O5ii 0.93 2.52 3.332 (4) 147
C5-H5A...F2iii 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[Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2005[Bruker (2005). APEX2, SAINT and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; program(s) used to solve structure: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); 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.  [CSD] [CrossRef] [ChemPort] [PubMed]
Motokawa, N., Miyasaka, H., Yamashita, M. & Dunbar, K. R. (2008). Angew. Chem. Int. Ed. Engl. 47, 7760-7763.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Sevryugina, Y., Hietsoi, O. & Petrukhina, M. A. (2007). Chem. Commun. 691, 3853-3855.  [CSD] [CrossRef]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Wein, A. N., Cordeiro, R., Owens, N., Olivier, H., Hardcastle, K. I. & Eichler, J. F. (2009). J. Fluorine Chem. 130, 197-203.  [ChemPort]
Yin, X. (2011). Acta Cryst. E67, m564-m565.  [CSD] [CrossRef] [details]


Acta Cryst (2012). E68, m16  [ doi:10.1107/S1600536811051804 ]

This is an open-access article distributed under the terms of the Creative Commons Attribution Licence, which permits unrestricted use, distribution, and reproduction in any medium, provided the original authors and source are cited.