{2-[2-(Ethyl­amino)ethyl­imino­meth­yl]-5-methoxy­phenolato}thio­cyanato­nickel(II)

Liu, L.

doi:10.1107/S1600536810002357

Volume 66
Part 2
Page m195
February 2010

Received 12 January 2010
Accepted 19 January 2010
Online 23 January 2010

Key indicators
Single-crystal X-ray study
T = 298 K
Mean (C-C) = 0.008 Å
R = 0.052
wR = 0.127
Data-to-parameter ratio = 13.4
Details

{2-[2-(Ethylamino)ethyliminomethyl]-5-methoxyphenolato}thiocyanatonickel(II)

Lin Liu ^a ^*

^aCollege of Chemistry and Biology Engineering, Yichun University, Yichun 336000, People's Republic of China
Correspondence e-mail: liulin_ycu@126.com

In the title mononuclear nickel(II) complex, [Ni(C₁₂H₁₇N₂O₂)(NCS)], the metal atom is four-coordinated in a tetrahedrally distorted square-planar geometry by the phenolate O atom, the imine N atom and the amine N atom of the Schiff base ligand and by the N atom of a thiocyanate ligand. In the crystal structure, centrosymmetrically related molecules are linked into dimers through intermolecular N-HO hydrogen bonds. These dimers are further connected by intermolecular C-HS hydrogen bonds, forming chains running parallel to [101].

Related literature

For general background to nickel(II) complexes with Schiff bases, see: Campbell & Urbach (1973); Wallis & Cummings (1974); Polt et al. (2003); Mukhopadhyay et al. (2003). For the structures of related complexes, see: Montazerozohori et al. (2009); Zhu et al. (2004, 2006).

Experimental

Crystal data

[Ni(C₁₂H₁₇N₂O₂)(NCS)]
M_r = 338.07
Monoclinic, P 2₁ /c
a = 9.298 (7) Å
b = 19.679 (14) Å
c = 8.461 (7) Å
= 111.716 (11)°
V = 1438.3 (19) Å³
Z = 4
Mo K radiation
= 1.50 mm^-1
T = 298 K
0.23 × 0.20 × 0.20 mm

Data collection

Bruker SMART CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 1998) T_min = 0.725, T_max = 0.754
6520 measured reflections
2500 independent reflections
1564 reflections with I > 2(I)
R_int = 0.071

Refinement

R[F² > 2(F²)] = 0.052
wR(F²) = 0.127
S = 1.08
2500 reflections
186 parameters
1 restraint
H atoms treated by a mixture of independent and constrained refinement
_max = 0.40 e Å^-3
_min = -0.52 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
N2-H2O1ⁱ	0.90 (5)	2.25 (3)	3.059 (6)	150 (5)
C7-H7S1ⁱⁱ	0.93	2.83	3.708 (6)	158
Symmetry codes: (i) -x+1, -y+2, -z; (ii) x+1, y, z+1.

Data collection: SMART (Bruker, 1998); cell refinement: SAINT (Bruker, 1998); data reduction: SAINT; 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: RZ2410 ).

Acknowledgements

This work was supported by Yichun University.

References

Bruker (1998). SADABS, SMART and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Campbell, T. B. & Urbach, F. L. (1973). Inorg. Chem. 12, 1840-1846.
Montazerozohori, M., Habibi, M. H., Mokhtari, R., Yamane, Y. & Suzuki, T. (2009). Acta Cryst. E65, m703.
Mukhopadhyay, S., Mandal, D., Ghosh, D., Goldberg, I. & Chaudhury, M. (2003). Inorg. Chem. 42, 8439-8445.
Polt, R., Kelly, B. D., Dangel, B. D., Tadikonda, U. B., Ross, R. E., Raitsimring, A. M. & Astashkin, A. V. (2003). Inorg. Chem. 42, 566-574.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Wallis, W. N. & Cummings, S. C. (1974). Inorg. Chem. 13, 991-994.
Zhu, B., Ruang, W. & Zhu, Z. (2004). Acta Cryst. E60, m634-m636.
Zhu, C.-G., Wang, F.-W. & Wei, Y.-J. (2006). Acta Cryst. E62, m1816-m1817.

metal-organic compounds