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Volume 69 
Part 6 
Pages m347-m348  
June 2013  

Received 9 May 2013
Accepted 22 May 2013
Online 31 May 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.006 Å
Disorder in solvent or counterion
R = 0.042
wR = 0.124
Data-to-parameter ratio = 10.0
Details
Open access

Bis(2,2'-bipyridyl-[kappa]2N,N')(sulfato-[kappa]2O,O')nickel(II) 2.5-hydrate

aDepartment of Chemistry, National Taras Shevchenko University, Volodymyrska Str. 64, 01601 Kiev, Ukraine
Correspondence e-mail: tiskenderov@ukr.net

The title compound, [Ni(SO4)(C10H8N2)2]·2.5H2O, is a nickel(II) complex with a distorted octahedral coordination geometry. The NiII atom is bonded by two O atoms of the bidentate chelating sulfate ligand and the four N atoms of two chelating 2,2'-bipyridine ligands. The Ni-N bond lengths range from 2.059 (3) to 2.075 (3) Å and the Ni-O bond lengths are 2.098 (3) and 2.123 (3) Å. The bipyridyl ligands are both close to planar (r.m.s. deviations of 0.254 and 0.0572 Å) and are almost orthogonal, making a dihedral angle of 82.77 (1)°. In the crystal, the complex and water molecules are connected by O-H...O hydrogen bonds. Interestingly, six water molecules form a chain linking two complex molecules via sulfate O atoms. There are also stacking interactions between the aromatic rings of neighbouring 2,2'-bipyridine ligands with shortest non-covalent contacts of 3.268 (6), 3.393 (6) and 3.435 (5) Å. One of the three unique water molecules shows half-occupation.

Related literature

For applications of the 2,2'-bipyridyl ligand, see: Fritsky et al. (2004[Fritsky, I. O., Swiatek-Kozlowska, J., Dobosz, A., Sliva, T. Yu. & Dudarenko, N. M. (2004). Inorg. Chim. Acta, 357, 3746-3752.], 2006[Fritsky, I. O., Kozlowski, H., Kanderal, O. M., Haukka, M., Swiatek-Kozlowska, J., Gumienna-Kontecka, E. & Meyer, F. (2006). Chem. Commun. pp. 4125-4127.]); Kanderal et al. (2005[Kanderal, O. M., Kozlowski, H., Dobosz, A., Swiatek-Kozlowska, J., Meyer, F. & Fritsky, I. O. (2005). Dalton Trans. pp. 1428-1437.]). For related structures, see: Fritsky et al. (1998[Fritsky, I. O., Kozlowski, H., Sadler, P. J., Yefetova, O. P., Swiatek-Kozlowska, J., Kalibabchuk, V. A. & Glowiak, T. (1998). J. Chem. Soc. Dalton Trans. pp. 3269-3274.], 2000[Fritsky, I. O., Ott, R. & Krämer, R. (2000). Angew. Chem. Int. Ed. 39, 3255-3258.]); Moroz et al. (2010[Moroz, Y. S., Szyrweil, L., Demeshko, S., Kozlowski, H., Meyer, F. & Fritsky, I. O. (2010). Inorg. Chem. 49, 4750-4752.], 2012[Moroz, Y. S., Demeshko, S., Haukka, M., Mokhir, A., Mitra, U., Stocker, M., Müller, P., Meyer, F. & Fritsky, I. O. (2012). Inorg. Chem. 51, 7445-7447.]); Sliva et al. (1997[Sliva, T. Yu., Kowalik-Jankowska, T., Amirkhanov, V. M., Glowiak, T., Onindo, C. O., Fritsky, I. O. & Kozlowski, H. (1997). J. Inorg. Biochem. 65, 287-294.]); Swiatek-Kozlowska et al. (2000[Swiatek-Kozlowska, J., Fritsky, I. O., Dobosz, A., Karaczyn, A., Dudarenko, N. M., Sliva, T. Yu., Gumienna-Kontecka, E. & Jerzykiewicz, L. (2000). J. Chem. Soc. Dalton Trans. pp. 4064-4068.]); Iskenderov et al. (2009[Iskenderov, T. S., Golenya, I. A., Gumienna-Kontecka, E., Fritsky, I. O. & Prisyazhnaya, E. V. (2009). Acta Cryst. E65, o2123-o2124.]).

[Scheme 1]

Experimental

Crystal data
  • [Ni(SO4)(C10H8N2)2]·2.5H2O

  • Mr = 512.18

  • Triclinic, [P \overline 1]

  • a = 10.045 (2) Å

  • b = 10.393 (2) Å

  • c = 11.028 (2) Å

  • [alpha] = 99.42 (3)°

  • [beta] = 101.97 (3)°

  • [gamma] = 98.56 (3)°

  • V = 1091.0 (4) Å3

  • Z = 2

  • Mo K[alpha] radiation

  • [mu] = 1.03 mm-1

  • T = 293 K

  • 0.32 × 0.22 × 0.11 mm

Data collection
  • Enraf-Nonius CAD-4 diffractometer

  • Absorption correction: multi-scan (North et al., 1968[North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359.]) Tmin = 0.765, Tmax = 0.897

  • 3228 measured reflections

  • 3021 independent reflections

  • 2527 reflections with I > 2[sigma](I)

  • Rint = 0.030

  • 3 standard reflections every 100 reflections intensity decay: 2%

Refinement
  • R[F2 > 2[sigma](F2)] = 0.042

  • wR(F2) = 0.124

  • S = 1.07

  • 3021 reflections

  • 301 parameters

  • 12 restraints

  • H-atom parameters constrained

  • [Delta][rho]max = 0.76 e Å-3

  • [Delta][rho]min = -0.44 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O1W-H1W1...O1i 0.98 1.99 2.925 (5) 160
O1W-H2W1...O4ii 0.86 2.04 2.819 (5) 150
O2W-H1W2...O3Wiii 0.95 2.08 3.03 (2) 174
O2W-H2W2...O1W 0.85 1.93 2.774 (11) 170
O3W-H1W3...O3Wiv 0.99 1.91 2.86 (4) 163
Symmetry codes: (i) -x+1, -y, -z+1; (ii) x+1, y, z; (iii) x, y-1, z; (iv) -x+1, -y+1, -z.

Data collection: CAD-4 EXPRESS (Enraf-Nonius, 1994[Enraf-Nonius (1994). CAD-4 EXPRESS. Enraf-Nonius, Delft, The Netherlands.]); cell refinement: CAD-4 EXPRESS; data reduction: XCAD4 (Harms & Wocadlo, 1995[Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.]); program(s) used to solve structure: SIR2004 (Burla et al., 2005[Burla, M. C., Caliandro, R., Camalli, M., Carrozzini, B., Cascarano, G. L., De Caro, L., Giacovazzo, C., Polidori, G. & Spagna, R. (2005). J. Appl. Cryst. 38, 381-388.]); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); molecular graphics: DIAMOND (Brandenburg, 2009[Brandenburg, K. (2009). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXL97.


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: SJ5321 ).


Acknowledgements

Financial support from the State Fund for Fundamental Researches of Ukraine (grant No. GP/F36/032) is gratefully acknowledged. I also thank Dr E. B. Rusanov, Institute of Organic Chemistry of the National Academy of Sciences of Ukraine, for collecting the X-ray data.

References

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Fritsky, I. O., Kozlowski, H., Sadler, P. J., Yefetova, O. P., Swiatek-Kozlowska, J., Kalibabchuk, V. A. & Glowiak, T. (1998). J. Chem. Soc. Dalton Trans. pp. 3269-3274.  [CSD] [CrossRef]
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Fritsky, I. O., Swiatek-Kozlowska, J., Dobosz, A., Sliva, T. Yu. & Dudarenko, N. M. (2004). Inorg. Chim. Acta, 357, 3746-3752.  [ISI] [CSD] [CrossRef] [ChemPort]
Harms, K. & Wocadlo, S. (1995). XCAD4. University of Marburg, Germany.
Iskenderov, T. S., Golenya, I. A., Gumienna-Kontecka, E., Fritsky, I. O. & Prisyazhnaya, E. V. (2009). Acta Cryst. E65, o2123-o2124.  [CSD] [CrossRef] [ChemPort] [details]
Kanderal, O. M., Kozlowski, H., Dobosz, A., Swiatek-Kozlowska, J., Meyer, F. & Fritsky, I. O. (2005). Dalton Trans. pp. 1428-1437.  [CrossRef] [PubMed]
Moroz, Y. S., Demeshko, S., Haukka, M., Mokhir, A., Mitra, U., Stocker, M., Müller, P., Meyer, F. & Fritsky, I. O. (2012). Inorg. Chem. 51, 7445-7447.  [ISI] [CSD] [CrossRef] [ChemPort] [PubMed]
Moroz, Y. S., Szyrweil, L., Demeshko, S., Kozlowski, H., Meyer, F. & Fritsky, I. O. (2010). Inorg. Chem. 49, 4750-4752.  [ISI] [CSD] [CrossRef] [ChemPort] [PubMed]
North, A. C. T., Phillips, D. C. & Mathews, F. S. (1968). Acta Cryst. A24, 351-359.  [CrossRef] [details]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]
Sliva, T. Yu., Kowalik-Jankowska, T., Amirkhanov, V. M., Glowiak, T., Onindo, C. O., Fritsky, I. O. & Kozlowski, H. (1997). J. Inorg. Biochem. 65, 287-294.  [CrossRef] [ChemPort] [ISI]
Swiatek-Kozlowska, J., Fritsky, I. O., Dobosz, A., Karaczyn, A., Dudarenko, N. M., Sliva, T. Yu., Gumienna-Kontecka, E. & Jerzykiewicz, L. (2000). J. Chem. Soc. Dalton Trans. pp. 4064-4068.


Acta Cryst (2013). E69, m347-m348   [ doi:10.1107/S1600536813014219 ]

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