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Volume 69 
Part 5 
Pages m263-m264  
May 2013  

Received 21 March 2013
Accepted 6 April 2013
Online 13 April 2013

Key indicators
Single-crystal X-ray study
T = 293 K
Mean [sigma](C-C) = 0.004 Å
R = 0.032
wR = 0.070
Data-to-parameter ratio = 12.1
Details
Open access

(3,3'-{(1E,1'E)-1,1'-[Ethane-1,2-diylbis(azan-1-yl-1-ylidene-[kappa]N)]bis(ethan-1-yl-1-ylidene)}dipyrazine 1-oxide-[kappa]N4)bis(nitrato-[kappa]O)nickel(II) monohydrate

aCollege of Chemistry and Chemical Engineering, Northwest Normal University, Lanzhou 730070, People's Republic of China, and bDepartment of Chemistry, Faculty of Education, University of Khartoum, Sudan
Correspondence e-mail: jcliu8@nwnu.edu.cn

In the title complex, [Ni(NO3)2(C14H16N6O2)]·H2O, the NiII atom, lying on a twofold rotation axis, is coordinated by a tetradentate 3,3'-{(1E,1'E)-1,1'-[ethane-1,2-diylbis(azan-1-yl-1-ylidene)]bis(ethan-1-yl-1-ylidene)}dipyrazine 1-oxide ligand and two mutually trans monodentate nitrate anions in a distorted octahedral geometry. The lattice water molecule is located on a twofold rotation axis. The complex molecules are linked by the water molecules through O-H...O hydrogen bonds into a chain along [001]. Further C-H...O hydrogen bonds lead to the formation of a three-dimensional network.

Related literature

For background to complexes with heterocyclic aromatic N-oxide ligands, see: Chupakhin et al. (2011[Chupakhin, O. N., Tretyakov, E. V., Utepova, I. A., Varaksin, M. V., Romanenko, G. V., Bogomyakov, A. S., Veber, S. L. & Ovcharenko, V. I. (2011). Polyhedron, 30, 647-653.]); Karayannis et al. (1973[Karayannis, N. M., Pytlewski, L. L. & Mikulski, C. M. (1973). Coord. Chem. Rev. 11, 93-159.]); Nizhnik et al. (2008[Nizhnik, Y. P., Szemik-Hojniak, A., Deperasinska, I., Jerzykiewicz, L. B., Korabik, M., Hojniak, M. & Andreev, V. P. (2008). Inorg. Chem. 47, 2103-2112.]); Sarma et al. (2010[Sarma, R., Boudalis, A. K. & Baruah, J. B. (2010). Inorg. Chim. Acta, 363, 2279-2286.]). For related structures, see: Banerjee et al. (2004[Banerjee, S., Gangopadhyay, J., Lu, C.-Z., Chen, J.-T. & Ghosh, A. (2004). Eur. J. Inorg. Chem. pp. 2533-2541.]); Padhi & Manivannan (2007[Padhi, S. K. & Manivannan, V. (2007). Polyhedron, 26, 1619-1624.]).

[Scheme 1]

Experimental

Crystal data
  • [Ni(NO3)2(C14H16N6O2)]·H2O

  • Mr = 501.05

  • Monoclinic, C 2/c

  • a = 16.993 (5) Å

  • b = 16.218 (5) Å

  • c = 7.754 (2) Å

  • [beta] = 113.427 (3)°

  • V = 1960.8 (10) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.06 mm-1

  • T = 293 K

  • 0.23 × 0.21 × 0.19 mm

Data collection
  • Bruker APEXII CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Sheldrick, 1996[Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.]) Tmin = 0.793, Tmax = 0.824

  • 6930 measured reflections

  • 1828 independent reflections

  • 1515 reflections with I > 2[sigma](I)

  • Rint = 0.034

Refinement
  • R[F2 > 2[sigma](F2)] = 0.032

  • wR(F2) = 0.070

  • S = 1.04

  • 1828 reflections

  • 151 parameters

  • 1 restraint

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

  • [Delta][rho]max = 0.26 e Å-3

  • [Delta][rho]min = -0.23 e Å-3

Table 1
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O5-H1W...O2i 0.78 (12) 2.46 (14) 3.086 (4) 139 (14)
C3-H3A...O2ii 0.93 2.58 3.389 (3) 146
C6-H6A...O1iii 0.96 2.56 3.453 (4) 156
Symmetry codes: (i) x+1, y, z; (ii) [x+{\script{1\over 2}}, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]; (iii) [-x+{\script{1\over 2}}, y+{\script{1\over 2}}, -z+{\script{3\over 2}}].

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). 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: DIAMOND (Brandenburg, 1999[Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.]); software used to prepare material for publication: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HY2621 ).


Acknowledgements

We are thankful for support of this study by the National Natural Science Foundation of China (No. 20871099) and the Gansu Provincial Natural Science Foundation of China (No. 0710RJZA113).

References

Banerjee, S., Gangopadhyay, J., Lu, C.-Z., Chen, J.-T. & Ghosh, A. (2004). Eur. J. Inorg. Chem. pp. 2533-2541.  [CSD] [CrossRef]
Brandenburg, K. (1999). DIAMOND. Crystal Impact GbR, Bonn, Germany.
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Chupakhin, O. N., Tretyakov, E. V., Utepova, I. A., Varaksin, M. V., Romanenko, G. V., Bogomyakov, A. S., Veber, S. L. & Ovcharenko, V. I. (2011). Polyhedron, 30, 647-653.  [ISI] [CSD] [CrossRef] [ChemPort]
Karayannis, N. M., Pytlewski, L. L. & Mikulski, C. M. (1973). Coord. Chem. Rev. 11, 93-159.  [CrossRef] [ChemPort] [ISI]
Nizhnik, Y. P., Szemik-Hojniak, A., Deperasinska, I., Jerzykiewicz, L. B., Korabik, M., Hojniak, M. & Andreev, V. P. (2008). Inorg. Chem. 47, 2103-2112.  [ISI] [CSD] [CrossRef] [PubMed] [ChemPort]
Padhi, S. K. & Manivannan, V. (2007). Polyhedron, 26, 1619-1624.  [ISI] [CSD] [CrossRef] [ChemPort]
Sarma, R., Boudalis, A. K. & Baruah, J. B. (2010). Inorg. Chim. Acta, 363, 2279-2286.  [ISI] [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [details]


Acta Cryst (2013). E69, m263-m264   [ doi:10.1107/S1600536813009355 ]

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