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

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

doi:10.1107/S160053681100136X

Volume 67
Part 2
Page m205
February 2011

Received 30 December 2010
Accepted 10 January 2011
Online 15 January 2011

Key indicators
Single-crystal X-ray study
T = 100 K
Mean (C-C) = 0.007 Å
R = 0.055
wR = 0.137
Data-to-parameter ratio = 14.6
Details

Aqua{2-morpholino-N-[1-(2-pyridyl)ethylidene]ethanamine-³N,N',N''}bis(thiocyanato-N)cobalt(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 complex, [Co(NCS)₂(C₁₃H₁₉N₃O)(H₂O)], the Co^II ion is six-coordinated by the N,N',N''-tridentate Schiff base, the N atoms of two thiocyanate ligands and one water molecule in a distorted octahedral geometry. Intramolecular C-HN and C-HO hydrogen bonds occur. In the crystal, intermolecular O-HO, O-HS, C-HS and SS [3.5546 (18) Å] interactions result in an infinite three-dimensional network.

Related literature

For the crystal structure of the analogous Ni^II complex, see: Suleiman Gwaram et al. (2011). For a similar Co(II) complex, see: Sun et al. (2007).

Experimental

Crystal data

[Co(NCS)₂(C₁₃H₁₉N₃O)(H₂O)]
M_r = 426.42
Monoclinic, P 2₁ /c
a = 7.1554 (3) Å
b = 22.187 (1) Å
c = 12.1297 (5) Å
= 91.115 (3)°
V = 1925.31 (14) Å³
Z = 4
Mo K radiation
= 1.13 mm^-1
T = 100 K
0.18 × 0.10 × 0.08 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996) T_min = 0.823, T_max = 0.915
13017 measured reflections
3401 independent reflections
2662 reflections with I > 2(I)
R_int = 0.062

Refinement

R[F² > 2(F²)] = 0.055
wR(F²) = 0.137
S = 1.08
3401 reflections
233 parameters
3 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 0.79 e Å^-3
_min = -0.54 e Å^-3

Table 1
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O2-H2AO1ⁱ	0.83 (3)	1.88 (3)	2.701 (4)	172 (5)
O2-H2BS1ⁱⁱ	0.83 (3)	2.36 (3)	3.161 (3)	162 (5)
C11-H11AO2	0.99	2.40	3.121 (6)	130
C12-H12BN4	0.99	2.62	3.511 (7)	150
C2-H2S1ⁱ	0.95	2.85	3.774 (6)	165
Symmetry codes: (i) $[x, -y+{\script{1\over 2}}, z+{\script{1\over 2}}]$ ; (ii) x-1, y, z.

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: PV2377 ).

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.
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, m108.
Sun, X.-P., Gu, W. & Liu, X. (2007). Acta Cryst. E63, m1339-m1340.
Westrip, S. P. (2010). J. Appl. Cryst. 43, 920-925.

metal-organic compounds

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