Diaqua­bis­{5-(pyridin-2-yl-κN)-3-[4-(pyridin-4-yl)phen­yl]-1H-1,2,4-triazol-1-ido-κN1}cobalt(II)

Li, B.

doi:10.1107/S1600536813003243

Volume 69
Part 3
Page m141
March 2013

Received 29 January 2013
Accepted 31 January 2013
Online 6 February 2013

Key indicators
Single-crystal X-ray study
T = 296 K
Mean (C-C) = 0.005 Å
R = 0.046
wR = 0.139
Data-to-parameter ratio = 11.8
Details

Diaquabis{5-(pyridin-2-yl-N)-3-[4-(pyridin-4-yl)phenyl]-1H-1,2,4-triazol-1-ido-N¹}cobalt(II)

Bin Li ^a ^*

^aAdvanced Material Institute of Research, Department of Chemistry and Chemical Engineering, Qilu Normal University, Jinan 250013, People's Republic of China
Correspondence e-mail: libin_qlnu@yahoo.com.cn

In the centrosymmetic title complex, [Co(C₁₈H₁₂N₅)₂(H₂O)₂], the Co^II ion is coordinated by two N,N'-bidentate 5-(pyridin-2-yl)-3-[4-(pyridin-4-yl)phenyl]-1H-1,2,4-triazol-1-ide ligands and two water molecules in a trans-CoO₂N₄ coordination geometry. In the ligand, the dihedral angles between the triazole ring and its adjacent pyridine and benzene rings are 5.57 (14) and 6.89 (16)°, respectively. In the crystal, molecules are linked by O-HN hydrogen bonds, generating a three-dimensional network.

Related literature

For background to coordination complexes, see: Li et al. (2007); Zhang et al. (2012a,b); Fan et al. (2013).

Experimental

Crystal data

[Co(C₁₈H₁₂N₅)₂(H₂O)₂]
M_r = 691.61
Monoclinic, P 2₁ /c
a = 13.2407 (17) Å
b = 11.9355 (16) Å
c = 9.8644 (13) Å
= 101.158 (1)°
V = 1529.4 (3) Å³
Z = 2
Mo K radiation
= 0.62 mm^-1
T = 296 K
0.12 × 0.10 × 0.08 mm

Data collection

Bruker APEXII CCD diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 2001) T_min = 0.930, T_max = 0.953
10448 measured reflections
2703 independent reflections
2227 reflections with I > 2(I)
R_int = 0.030

Refinement

R[F² > 2(F²)] = 0.046
wR(F²) = 0.139
S = 1.00
2703 reflections
229 parameters
3 restraints
H atoms treated by a mixture of independent and constrained refinement
_max = 1.05 e Å^-3
_min = -0.39 e Å^-3

Table 1
Selected bond lengths (Å)

Co1-N2	2.057 (2)
Co1-N1	2.130 (2)
Co1-O1	2.181 (2)

Table 2
Hydrogen-bond geometry (Å, °)

D-HA	D-H	HA	DA	D-HA
O1-H1WN4ⁱ	0.82 (1)	1.98 (1)	2.783 (3)	168 (4)
O1-H2WN5ⁱⁱ	0.82 (1)	2.46 (3)	3.196 (4)	150 (5)
Symmetry codes: (i) $[-x+1, y-{\script{1\over 2}}, -z+{\script{1\over 2}}]$ ; (ii) x-1, y, z-1.

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: HB7033 ).

References

Bruker (2001). SAINT-Plus and SADABS. Bruker AXS Inc., Madison, Wisconsin, USA.
Bruker (2004). APEX2. Bruker AXS Inc., Madison, Wisconsin, USA.
Fan, L. M., Zhang, X. T., Li, D. C., Sun, D., Zhang, W. & Dou, J. M. (2013). CrystEngComm, 15, 349-355.
Li, F. Y., Qu, X. S. & Qiu, Y. F. (2007). Cryst. Res. Technol. 42, 1036-1043.
Sheldrick, G. M. (2008). Acta Cryst. A64, 112-122.
Zhang, X. T., Li, B., Zhao, X., Sun, D., Li, D. C. & Dou, J. M. (2012b). CrystEngComm, 14, 2053-2061.
Zhang, X. T., Sun, D., Li, B., Fan, L. M., Li, B. & Wei, P. H. (2012a). Cryst. Growth Des. 12, 3845-3848.

metal-organic compounds

Diaquabis{5-(pyridin-2-yl-N)-3-[4-(pyridin-4-yl)phenyl]-1H-1,2,4-triazol-1-ido-N1}cobalt(II)