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Volume 69 
Part 7 
Page m399  
July 2013  

Received 26 May 2013
Accepted 11 June 2013
Online 15 June 2013

Key indicators
Single-crystal X-ray study
T = 295 K
Mean [sigma](C-C) = 0.003 Å
R = 0.025
wR = 0.073
Data-to-parameter ratio = 12.3
Details
Open access

Diaqua{2,2'-dimethoxy-6,6'-[(1E,1'E)-propane-1,3-diylbis(azanylylidene)bis(methanylylidene)]diphenolato}nickel(II)

aDepartment of Chemistry, National Changhua University of Education, Changhua 50058, Taiwan,bDepartment of Inorganic and Radiation Chemistry, Institute of Chemistry, University of Silesia, 9th Szkolna Street, 40-006 Katowice, Poland, and cDepartment of Occupational Health and Safety, Chang Jung Christian University, Tainan City 71101, Taiwan
Correspondence e-mail: scschem@mail.cjcu.edu.tw

In the molecule of the title compound, [Ni(C19H20N2O4)(H2O)2], the central NiII ion lies on a mirror plane and is surrounded by an N2O4 coordination set in the form of a distorted octahedron defined by the O atoms of two water molecules and by two phenolic O and two imine N atoms of the tetradentate Schiff base ligand. In the crystal, O-H...O hydrogen bonds between the water molecules and the phenolic and methoxy O atoms of neighbouring molecules lead to the formation of rods propagating parallel to [100].

Related literature

For related complexes with similar ligands, see: Sen et al. (2006[Sen, S., Mitra, S., Luneau, D., El Fallah, M. S. & Ribas, J. (2006). Polyhedron, 25, 2737-2744.]); Thakurta et al. (2009a[Thakurta, S., Chakraborty, J., Rosair, G. M., Butcher, R. J. & Mitra, S. (2009a). Inorg. Chim. Acta, 362, 2828-2836.],b[Thakurta, S., Butcher, R. J., Pilet, G. & Mitra, S. (2009b). J. Mol. Struct. 929, 112-119.], 2010a[Thakurta, S., Rizzoli, C., Butcher, R. J., Gómez-García, C. J., Garribba, E. & Mitra, S. (2010a). Inorg. Chim. Acta, 363, 2395-1403.],b[Thakurta, S., Butcher, R. J., Gómez-García, C. J., Garribba, E. & Mitra, S. (2010b). Inorg. Chim. Acta, 363, 3981-3986.]).

[Scheme 1]

Experimental

Crystal data
  • [Ni(C19H20N2O4)(H2O)2]

  • Mr = 435.11

  • Orthorhombic, P n m a

  • a = 7.4920 (2) Å

  • b = 22.1442 (6) Å

  • c = 11.6045 (3) Å

  • V = 1925.24 (9) Å3

  • Z = 4

  • Mo K[alpha] radiation

  • [mu] = 1.05 mm-1

  • T = 295 K

  • 0.30 × 0.25 × 0.20 mm

Data collection
  • Bruker SMART CCD diffractometer

  • Absorption correction: multi-scan (SADABS; Bruker, 2007[Bruker (2007). APEX2, SAINT and SADABS. Bruker AXS Inc. Madison, Wisconsin, USA.]) Tmin = 0.782, Tmax = 1.000

  • 20064 measured reflections

  • 1745 independent reflections

  • 1578 reflections with I > 2[sigma](I)

  • Rint = 0.035

Refinement
  • R[F2 > 2[sigma](F2)] = 0.025

  • wR(F2) = 0.073

  • S = 1.06

  • 1745 reflections

  • 142 parameters

  • 2 restraints

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

  • [Delta][rho]max = 0.80 e Å-3

  • [Delta][rho]min = -0.31 e Å-3

Table 1
Selected bond lengths (Å)

Ni1-O1i 2.0131 (13)
Ni1-O1 2.0131 (13)
Ni1-N1 2.0684 (16)
Ni1-N1i 2.0684 (16)
Ni1-O4 2.1048 (19)
Ni1-O3 2.113 (2)
Symmetry code: (i) [x, -y+{\script{1\over 2}}, z].

Table 2
Hydrogen-bond geometry (Å, °)

D-H...A D-H H...A D...A D-H...A
O4-H4O...O2ii 0.83 (1) 2.49 (2) 3.1433 (19) 136 (2)
O4-H4O...O1ii 0.83 (1) 2.11 (2) 2.823 (2) 143 (2)
O3-H3O...O1iii 0.83 (1) 2.37 (2) 3.059 (2) 140 (2)
O3-H3O...O2iii 0.83 (1) 2.21 (2) 2.9432 (18) 147 (2)
Symmetry codes: (ii) [x-{\script{1\over 2}}, y, -z+{\script{1\over 2}}]; (iii) [x+{\script{1\over 2}}, y, -z+{\script{1\over 2}}].

Data collection: APEX2 (Bruker, 2007[Bruker (2007). APEX2, SAINT and SADABS. Bruker AXS Inc. Madison, Wisconsin, USA.]); cell refinement: SAINT (Bruker, 2007[Bruker (2007). APEX2, SAINT and SADABS. 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: SHELXTL (Sheldrick, 2008[Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.]); software used to prepare material for publication: publCIF (Westrip, 2010[Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.]).


Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: WM2747 ).


Acknowledgements

We are grateful to the National Science Council of Taiwan for financial support.

References

Bruker (2007). APEX2, SAINT and SADABS. Bruker AXS Inc. Madison, Wisconsin, USA.
Sen, S., Mitra, S., Luneau, D., El Fallah, M. S. & Ribas, J. (2006). Polyhedron, 25, 2737-2744.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.  [CrossRef] [ChemPort] [IUCr Journals]
Thakurta, S., Butcher, R. J., Gómez-García, C. J., Garribba, E. & Mitra, S. (2010b). Inorg. Chim. Acta, 363, 3981-3986.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Thakurta, S., Butcher, R. J., Pilet, G. & Mitra, S. (2009b). J. Mol. Struct. 929, 112-119.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Thakurta, S., Chakraborty, J., Rosair, G. M., Butcher, R. J. & Mitra, S. (2009a). Inorg. Chim. Acta, 362, 2828-2836.  [Web of Science] [CSD] [CrossRef] [ChemPort]
Thakurta, S., Rizzoli, C., Butcher, R. J., Gómez-García, C. J., Garribba, E. & Mitra, S. (2010a). Inorg. Chim. Acta, 363, 2395-1403.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.  [Web of Science] [CrossRef] [ChemPort] [IUCr Journals]


Acta Cryst (2013). E69, m399  [ doi:10.1107/S1600536813016188 ]

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