Aqua­(dicyanamido){μ-6,6′-dimeth­oxy-2,2′-[ethane-1,2-diylbis(nitrilo­methyl­idyne)]diphenolato}nickel(II)sodium

Wang, W.; Shen, Y.-M.

doi:10.1107/S160053680901438X

Volume 65
Part 5
Page m557
May 2009

Received 12 April 2009
Accepted 17 April 2009
Online 22 April 2009

Key indicators
Single-crystal X-ray study
T = 293 K
Mean (C-C) = 0.006 Å
R = 0.039
wR = 0.099
Data-to-parameter ratio = 13.3
Details

Aqua(dicyanamido){-6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolato}nickel(II)sodium

Wei Wang ^a and Yong-Miao Shen ^b ^*

^aYancheng Institute of Technology, School of Chemical and Biological Engineering, Yancheng 224003, People's Republic of China, and ^bDepartment of Chemistry, Shaoxing University, Shaoxing 312000, People's Republic of China
Correspondence e-mail: chemreagent@yahoo.cn

The molecule of the title compound, [NaNi(C₁₈H₁₈N₂O₄)(C₂N₃)(H₂O)], is approximately planar, with a maximum deviation from the molecular plane of 0.770 (5) Å. The coordination environment of the Ni²⁺ ion is distorted square-planar and it is N₂O₂ coordinated by the 6,6'-dimethoxy-2,2'-[ethane-1,2-diylbis(nitrilomethylidyne)]diphenolate Schiff base ligand. The Na⁺ atom is chelated by the four O atoms of the Schiff base ligand, a water ligand and a dicyanamide anion. The structure displays intermolecular O-HN hydrogen bonding.

Related literature

For chemical background, see: Ohba & Okawa (2000). For related structures, see: Correia et al. (2005); Costes et al.(2004).

Experimental

Crystal data

[NaNi(C₁₈H₁₈N₂O₄)(C₂N₃)(H₂O)]
M_r = 492.11
Monoclinic, P 2₁ /c
a = 7.4654 (14) Å
b = 22.745 (4) Å
c = 13.177 (3) Å
= 101.282 (4)°
V = 2194.2 (8) Å³
Z = 4
Mo K radiation
= 0.95 mm^-1
T = 293 K
0.14 × 0.13 × 0.11 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 2003) T_min = 0.879, T_max = 0.903
10817 measured reflections
3864 independent reflections
2815 reflections with I > 2(I)
R_int = 0.032

Refinement

R[F² > 2(F²)] = 0.039
wR(F²) = 0.099
S = 1.02
3864 reflections
291 parameters
54 restraints
H-atom parameters constrained
_max = 0.33 e Å^-3
_min = -0.35 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O5-H5AN3ⁱ	0.82	2.14	2.960 (4)	175
O5-H5BN4ⁱⁱ	0.82	2.03	2.852 (4)	177
Symmetry codes: (i) x-1, y, z; (ii) $[x-1, -y+{\script{1\over 2}}, z-{\script{1\over 2}}]$ .

Data collection: APEX2 (Bruker, 2004); cell refinement: SAINT-Plus (Bruker, 2001); data reduction: SAINT-Plus; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: SHELXTL (Sheldrick, 2008); software used to prepare material for publication: SHELXTL.

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: HG2500 ).

Acknowledgements

This work was supported by the Zhejiang Provincial Natural Science Foundation (grant No. Y4080395).

References

Bruker (2001). SAINT-Plus. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2004). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.
Correia, I., Duarte, M. T., Piedade, M. F. M., Jackush, T., Kiss, T., Castro, M. M., Geraldes, C. A., Carlos, F. G. C. & Avecilla, F. (2005). Eur. J. Inorg. Chem. pp. 732-744.
Costes, J.-P., Novitchi, G., Shova, S., Dahan, F., Donnadieu, B. & Tuchagues, J.-P. (2004). Inorg. Chem. 43, 7792-7799.
Ohba, M. & Okawa, H. (2000). Coord. Chem. Rev. 198, 313-328.
Sheldrick, G. M. (2003). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.

metal-organic compounds