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Volume 68 
Part 12 
Page m1470  
December 2012  

Received 29 October 2012
Accepted 4 November 2012
Online 10 November 2012

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Key indicators
Single-crystal X-ray study
T = 295 K
Mean [sigma](C-C) = 0.004 Å
Disorder in main residue
R = 0.037
wR = 0.105
Data-to-parameter ratio = 13.3
Details
Open access

cis-Bis{(E)-2-[(2-fluorophenyl)iminomethyl]phenolato-[kappa]2N,O}bis(pyridine-[kappa]N)nickel(II)1

Marcela C. G. Souza,a Leonardo da C. Ferreira,a Nadia M. Comerlato,a Glaucio B. Ferreirab and Lorenzo do Canto Visentinc*

aInstituto de Química, Universidade Federal do Rio de Janeiro, 21949-900 Rio de Janeiro, RJ, Brazil,bInstituto de Química, Departamento de Química Inorgânica, Universidade Federal Fluminense, 24020-150 Niterói, RJ, Brazil, and cR&D NanoBusiness, e-Diffraction Pharma, 22451-900 Rio de Janeiro, RJ, Brazil
Correspondence e-mail: lorenzo.visentin@nanobusiness.com.br

The structure of the title compound, [Ni(C13H9FNO)2(C5H5N)2], consists of an NiII atom on a crystallographic center of symmetry, octahedrally bonded through both the N and O atoms to two 2-[(2-fluorophenyl)iminomethyl]phenolate (L) ligands, as well as two pyridine ligands. The F atoms of L are disordered over two positions related by a 180° rotation of the fluorophenyl group around its external C-N bond.

Related literature

For related nickel compounds, see: Dang et al. (2009[Dang, Y.-Q., Yang, H.-J. & Tian, L.-J. (2009). Acta Cryst. E65, m231.]); Orpen et al. (1989[Orpen, A. G., Brammer, L., Allen, F. H., Kennard, O., Watson, D. G. & Taylor, R. (1989). J. Chem. Soc. Dalton Trans. pp. S1-83.]). For related N-salicylidene anilines, see: Lindeman et al. (1981[Lindeman, S. V., Andrianov, V. G., Kravcheni, S. G., Potapov, V. M., Potekhin, K. A. & Struchkov, Yu. T. (1981). Zh. Strukt. Khim. 22, 123-131.]); Temel et al. (2007[Temel, E., Albayrak, Ç., Odabasoglu, M. & Büyükgüngör, O. (2007). Acta Cryst. E63, o2642.]); Çelik et al. (2009[Çelik, Ö., Kasumov, V. T. & Sahin, E. (2009). Acta Cryst. E65, o2786.]).

[Scheme 1]

Experimental

Crystal data

  • [Ni(C13H9FNO)2(C5H5N)2]

  • Mr = 645.32

  • Triclinic, [P \overline 1]

  • a = 8.3160 (17) Å

  • b = 10.344 (2) Å

  • c = 11.049 (2) Å

  • [alpha] = 109.94 (3)°

  • [beta] = 98.53 (3)°

  • [gamma] = 111.93 (3)°

  • V = 786.2 (3) Å3

  • Z = 1

  • Mo K[alpha] radiation

  • [mu] = 0.67 mm-1

  • T = 295 K

  • 0.17 × 0.16 × 0.12 mm
Data collection

  • Nonius KappaCCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 2004[Sheldrick, G. M. (2004). SADABS. University of Göttingen, Germany.]) Tmin = 0.895, Tmax = 0.924

  • 11574 measured reflections

  • 2909 independent reflections

  • 2652 reflections with I > 2[sigma](I)

  • Rint = 0.026
Refinement

  • R[F2 > 2[sigma](F2)] = 0.037

  • wR(F2) = 0.105

  • S = 1.05

  • 2909 reflections

  • 219 parameters

  • H atoms treated by a mixture of independent and constrained refinement

  • [Delta][rho]max = 0.41 e Å-3

  • [Delta][rho]min = -0.32 e Å-3

Data collection: COLLECT (Hooft, 1998[Hooft, R. W. W. (1998). COLLECT. Nonius BV, Delft, The Netherlands.]); cell refinement: PHICHI (Duisenberg et al., 2000[Duisenberg, A. J. M., Hooft, R. W. W., Schreurs, A. M. M. & Kroon, J. (2000). J. Appl. Cryst. 33, 893-898.]); data reduction: EVALCCD (Duisenberg et al., 2003[Duisenberg, A. J. M., Kroon-Batenburg, L. M. J. & Schreurs, A. M. M. (2003). J. Appl. Cryst. 36, 220-229.]); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: ORTEP-3 for Windows (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]); software used to prepare material for publication: WinGX (Farrugia, 2012[Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.]).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: BR2213 ).

Acknowledgements

The authors are grateful to their sponsors, CNPq, CAPES and FAPERJ for financial support and also to the Laboratório de Difração de Raios X, (LDRX), Universidade Federal Fluminense, Brazil, for the diffractometer facility. Thanks are due to the Consejo Superior de Investigaciones Científicas (CSIC) of Spain for the award of a license for the use of the Cambridge Structural Database. We thank Professor James Lewis Wardell for scientific support of this work.

References

Çelik, Ö., Kasumov, V. T. & Sahin, E. (2009). Acta Cryst. E65, o2786.  [CSD] [CrossRef] [details]
Dang, Y.-Q., Yang, H.-J. & Tian, L.-J. (2009). Acta Cryst. E65, m231.  [CSD] [CrossRef] [details]
Duisenberg, A. J. M., Hooft, R. W. W., Schreurs, A. M. M. & Kroon, J. (2000). J. Appl. Cryst. 33, 893-898.  [ISI] [CrossRef] [ChemPort] [details]
Duisenberg, A. J. M., Kroon-Batenburg, L. M. J. & Schreurs, A. M. M. (2003). J. Appl. Cryst. 36, 220-229.  [ISI] [CrossRef] [ChemPort] [details]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Hooft, R. W. W. (1998). COLLECT. Nonius BV, Delft, The Netherlands.
Lindeman, S. V., Andrianov, V. G., Kravcheni, S. G., Potapov, V. M., Potekhin, K. A. & Struchkov, Yu. T. (1981). Zh. Strukt. Khim. 22, 123-131.  [ChemPort]
Orpen, A. G., Brammer, L., Allen, F. H., Kennard, O., Watson, D. G. & Taylor, R. (1989). J. Chem. Soc. Dalton Trans. pp. S1-83.  [CrossRef]
Sheldrick, G. M. (2004). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Temel, E., Albayrak, Ç., Odabasoglu, M. & Büyükgüngör, O. (2007). Acta Cryst. E63, o2642.  [CSD] [CrossRef] [details]

Acta Cryst (2012). E68, m1470  [ doi:10.1107/S1600536812045576 ]

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