Aqua­{2-morpholino-N-[1-(2-pyrid­yl)ethyl­idene]ethanamine-κ3N,N′,N′′}bis­(thio­cyanato-κN)nickel(II)

Suleiman Gwaram, N.; Ikmal Hisham, N.A.; Khaledi, H.; Mohd Ali, H.

doi:10.1107/S1600536810052578

Volume 67
Part 1
Page m108
January 2011

Received 13 December 2010
Accepted 15 December 2010
Online 24 December 2010

Key indicators
Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.003 Å
R = 0.025
wR = 0.058
Data-to-parameter ratio = 14.9
Details

Aqua{2-morpholino-N-[1-(2-pyridyl)ethylidene]ethanamine-³N,N',N''}bis(thiocyanato-N)nickel(II)

Nura Suleiman Gwaram,^a Nurul Azimah Ikmal Hisham,^a Hamid Khaledi ^a ^* and Hapipah Mohd Ali ^a

^aDepartment of Chemistry, University of Malaya, 50603 Kuala Lumpur, Malaysia
Correspondence e-mail: khaledi@siswa.um.edu.my

In the title compound, [Ni(NCS)₂(C₁₃H₁₉N₃O)(H₂O)], the Ni^II ion is six-coordinated by the N,N',N''-tridentate Schiff base, the N atoms of two thiocyanate ligands and one water O atom in a distorted octahedral geometry. Intramolecular C-HN and C-HO hydrogen bonds occur. In the crystal, O-HS, O-HO and C-HS hydrogen bonds link adjacent molecules into layers parallel to the ac plane.

Related literature

For the structure of the Cu(II) complex with the Schiff base and thiocyanate, see: Suleiman Gwaram et al. (2011). For the structures of related Ni(II) complexes, see: Chiumia et al. (1999); Zhao et al. (2008).

Experimental

Crystal data

[Ni(NCS)₂(C₁₃H₁₉N₃O)(H₂O)]
M_r = 426.20
Monoclinic, P 2₁ /c
a = 7.1881 (1) Å
b = 21.9708 (3) Å
c = 12.1438 (2) Å
= 91.412 (1)°
V = 1917.27 (5) Å³
Z = 4
Mo K radiation
= 1.25 mm^-1
T = 100 K
0.35 × 0.32 × 0.22 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.669, T_max = 0.771
14240 measured reflections
3474 independent reflections
3168 reflections with I > 2(I)
R_int = 0.023

Refinement

R[F² > 2(F²)] = 0.025
wR(F²) = 0.058
S = 1.09
3474 reflections
233 parameters
4 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.45 e Å^-3
_min = -0.36 e Å^-3

Table 1
Selected bond lengths (Å)

Ni1-N1	2.1079 (16)
Ni1-N2	2.0243 (15)
Ni1-N3	2.2317 (16)
Ni1-N4	2.0270 (16)
Ni1-N5	2.0318 (16)
Ni1-O2	2.0996 (13)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O2-H2AS1ⁱ	0.83 (1)	2.32 (1)	3.1410 (14)	168 (2)
O2-H2BO1ⁱⁱ	0.84 (1)	1.89 (1)	2.7023 (19)	163 (2)
C2-H2S1ⁱⁱ	0.95	2.84	3.769 (3)	167
C11-H11AN4	0.99	2.53	3.409 (3)	147
C12-H12BO2	0.99	2.40	3.100 (2)	127
Symmetry codes: (i) x+1, y, z; (ii) $[x, -y+{\script{3\over 2}}, z-{\script{1\over 2}}]$ .

Data collection: APEX2 (Bruker, 2007); cell refinement: SAINT (Bruker, 2007); data reduction: SAINT; program(s) used to solve structure: SHELXS97 (Sheldrick, 2008); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008); molecular graphics: X-SEED (Barbour, 2001); software used to prepare material for publication: SHELXL97 and publCIF (Westrip, 2010).

Supplementary data and figures for this paper are available from the IUCr electronic archives (Reference: IS2646 ).

Acknowledgements

The authors thank the University of Malaya for funding this study (FRGS grant FP004/2010B).

References

Barbour, L. J. (2001). J. Supramol. Chem. 1, 189-191.
Bruker (2007). APEX2 and SAINT. Bruker AXS Inc., Madison, Wisconsin, USA.
Chiumia, G. C., Craig, D. C., Phillips, D. J., Rae, A. D. & Zafar Kaifi, F. M. (1999). Inorg. Chim. Acta, 285, 297-300.
Sheldrick, G. M. (1996). SADABS. University of Göttingen, Germany.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Suleiman Gwaram, N., Ikmal Hisham, N. A., Khaledi, H. & Mohd Ali, H. (2011). Acta Cryst. E67, m58.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.
Zhao, K., Yin, X.-H., Lin, C.-W., Meng, D.-X. & Wu, F. (2008). Acta Cryst. E64, m84-m85.

metal-organic compounds

Aqua{2-morpholino-N-[1-(2-pyridyl)ethylidene]ethanamine-3N,N',N''}bis(thiocyanato-N)nickel(II)