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Volume 69 
Part 2 
Page m131  
February 2013  

Received 21 December 2012
Accepted 27 January 2013
Online 31 January 2013

Key indicators
Single-crystal X-ray study
T = 296 K
Mean [sigma](C-C) = 0.003 Å
R = 0.034
wR = 0.103
Data-to-parameter ratio = 20.8
Details
Open access

Bis(acetylacetonato-[kappa]2O,O')bis(pyridine-[kappa]N)nickel(II) dihydrate

aUnité de Recherche de Chimie de l'Environnement et, Moléculaire Structurale (CHEMS), Faculté des Sciences Exactes, Département de Chimie, Université de Constantine 1, 25000 Constantine, Algeria
Correspondence e-mail: a_beghidja@yahoo.fr

The title compound, [Ni(C5H7O2)2(C5H5N)2]·2H2O, crystallizes with two half-molecules in the asymmetric unit. The NiII ion of each unique complex molecule lies on an inversion centre and has an octahedral coordination geometry. The crystal structure features weak O-H...O hydrogen bonds, which form chains running parallel to the a axis.

Related literature

For the structures of octahedral complexes of the type [M(acac)2(L)2]2 (M = Ni; acac = acetylacetonate, 1,3-diphenyl-1,3 propanedianato; L = pyridine, 3-cyanopyridine, 4-cyanopyridine, 3-methylpyridine, 2-methylpyridine, 4-pyridyltetrathiafulvalene), see: Elder (1968[Elder, R. C. (1968). Inorg. Chem. 7, 2316-2322.]); Zukerman-Schpector et al. (2000[Zukerman-Schpector, J., Trindade, A. C. & Dunstan, P. O. (2000). Acta Cryst. C56, 763-765.], 2007[Zukerman-Schpector, J., Caracelli, I., Trindade, A. C., Cussigh, O. & Dunstan, P. O. (2007). Z. Kristallogr. New Cryst. Struct. 222, 47-49.]); Wang et al. (2006[Wang, L., Zhang, B. & Zhang, J. (2006). Inorg. Chem. 45, 6860-6863.]); Soldatov et al. (2001[Soldatov, D. V., Enright, G. D., Ratcliffe, C. I., Henegouwen, A. T. & Ripmeester, J. A. (2001). Chem. Mater. 13, 4322-4334.]).

[Scheme 1]

Experimental

Crystal data
  • [Ni(C5H7O2)2(C5H5N)2]·2H2O

  • Mr = 451.13

  • Monoclinic, P 21 /c

  • a = 16.362 (5) Å

  • b = 14.476 (5) Å

  • c = 9.543 (5) Å

  • [beta] = 91.510 (5)°

  • V = 2259.5 (16) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 0.89 mm-1

  • T = 296 K

  • 0.15 × 0.12 × 0.10 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • 55078 measured reflections

  • 5587 independent reflections

  • 4298 reflections with I > 2[sigma](I)

  • Rint = 0.018

Refinement
  • R[F2 > 2[sigma](F2)] = 0.034

  • wR(F2) = 0.103

  • S = 1.05

  • 5587 reflections

  • 269 parameters

  • 6 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.22 e Å-3

  • [Delta][rho]min = -0.25 e Å-3

Table 1
Selected bond lengths (Å)

Ni1-O1 2.0427 (17)
Ni1-O2 2.0407 (16)
Ni1-N1 2.1039 (19)
Ni2-N2 2.126 (2)
Ni2-O3 2.0299 (16)
Ni2-O4 2.0297 (17)

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O2W-H1W...O3 0.84 2.10 2.926 (3) 166
O2W-H2W...O1W 0.86 2.46 3.092 (4) 131
O1W-H11W...O2 0.83 2.45 2.908 (3) 116
O1W-H22W...O1i 0.84 2.07 2.896 (3) 169
Symmetry code: (i) -x+1, -y+1, -z+1.

Data collection: APEX2 (Bruker, 2006[Bruker (2006). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2006[Bruker (2006). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); data reduction: SAINT; 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: ATOMS (Dowty, 1995[Dowty, E. (1995). ATOMS. Shape Software, Kingsport, Tennessee, USA.]); 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: KJ2219 ).


Acknowledgements

The authors thank the MESRS (Algeria) for financial support. MB thanks the DG-RSDT and ANDRU (Direction Générale de la Recherche Scientifique et du Dévelopement Technologique et l'Agence Nationale pour le Développement de la Recherche Universitaire, Algeria) for support through the PNR project.

References

Bruker (2006). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Dowty, E. (1995). ATOMS. Shape Software, Kingsport, Tennessee, USA.
Elder, R. C. (1968). Inorg. Chem. 7, 2316-2322.  [CrossRef] [ChemPort]
Farrugia, L. J. (2012). J. Appl. Cryst. 45, 849-854.  [ISI] [CrossRef] [ChemPort] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [details]
Soldatov, D. V., Enright, G. D., Ratcliffe, C. I., Henegouwen, A. T. & Ripmeester, J. A. (2001). Chem. Mater. 13, 4322-4334.  [ISI] [CSD] [CrossRef] [ChemPort]
Wang, L., Zhang, B. & Zhang, J. (2006). Inorg. Chem. 45, 6860-6863.  [CrossRef] [PubMed] [ChemPort]
Zukerman-Schpector, J., Caracelli, I., Trindade, A. C., Cussigh, O. & Dunstan, P. O. (2007). Z. Kristallogr. New Cryst. Struct. 222, 47-49.  [ChemPort]
Zukerman-Schpector, J., Trindade, A. C. & Dunstan, P. O. (2000). Acta Cryst. C56, 763-765.  [CrossRef] [details]


Acta Cryst (2013). E69, m131  [ doi:10.1107/S1600536813002699 ]

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