{2,2′-[6,6′-Dimethoxy­cyclo­hexane-1,2-diylbis(nitrilo­methyl­idyne)]diphenolato-κ4 O 1,N,N′,O 1′}cobalt(II) monohydrate

Yan Bao; Hong-Feng Li; Peng-Fei Yan; Guang-Ming Li; Guang-Feng Hou

doi:10.1107/S1600536809021540

. 2009 Jun 13;65(Pt 7):m770. doi: 10.1107/S1600536809021540

{2,2′-[6,6′-Dimethoxycyclohexane-1,2-diylbis(nitrilomethylidyne)]diphenolato-κ⁴ O ¹,N,N′,O ^1′}cobalt(II) monohydrate

Yan Bao ^a, Hong-Feng Li ^a, Peng-Fei Yan ^a, Guang-Ming Li ^a,^*, Guang-Feng Hou ^a

PMCID: PMC2969264 PMID: 21582700

Abstract

In the title complex, [Co(C₂₂H₂₄N₂O₄)]·H₂O, the Co^II atom is in an almost square-planar coordination environment involving two O and two N atoms from the Schiff base ligand. A water molecule cocrystallizes with the coordination compound and may be held in the crystal by O—H⋯O hydrogen bonds. Heteroatomic π–π ring interactions may be present between symmetry-related complexes, with centroid–centroid distances of 3.5661 (8) Å.

Related literature

For related platinum complexes of a similar Schiff base, see: Lu et al. (2008 ▶).

Experimental

Crystal data

[Co(C₂₂H₂₄N₂O₄)]·H₂O
M _r = 457.38
Monoclinic,
a = 11.241 (3) Å
b = 10.605 (3) Å
c = 17.864 (7) Å
β = 107.158 (14)°
V = 2034.9 (12) Å³
Z = 4
Mo Kα radiation
μ = 0.88 mm⁻¹
T = 291 K
0.20 × 0.19 × 0.17 mm

Data collection

Rigaku R-AXIS RAPID diffractometer
Absorption correction: multi-scan (ABSCOR; Higashi, 1995 ▶) T _min = 0.826, T _max = 0.851
19221 measured reflections
4647 independent reflections
3840 reflections with I > 2σ(I)
R _int = 0.034

Refinement

R[F ² > 2σ(F ²)] = 0.029
wR(F ²) = 0.069
S = 1.04
4647 reflections
373 parameters
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.36 e Å⁻³
Δρ_min = −0.24 e Å⁻³

Data collection: RAPID-AUTO (Rigaku, 1998 ▶); cell refinement: RAPID-AUTO; data reduction: RAPID-AUTO; 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: SHELXL97.

Supplementary Material

Crystal structure: contains datablocks global, I. DOI: 10.1107/S1600536809021540/cs2106sup1.cif

e-65-0m770-sup1.cif^{(20.1KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809021540/cs2106Isup2.hkl

e-65-0m770-Isup2.hkl^{(227.7KB, hkl)}

Additional supplementary materials: crystallographic information; 3D view; checkCIF report

Table 1. Hydrogen-bond geometry (Å, °).

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
O5—H25⋯O2	0.90 (4)	2.11 (4)	2.916 (3)	149 (3)
O5—H25⋯O1	0.90 (4)	2.45 (4)	3.103 (2)	129 (3)
O5—H26⋯O4	0.89 (4)	2.05 (4)	2.895 (3)	159 (4)
O5—H26⋯O3	0.89 (4)	2.59 (4)	3.248 (2)	131 (3)

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Acknowledgments

The authors gratefully acknowledge financial support from the National Natural Science Foundation of China (grant Nos. 20572018 and 20672032), Heilongjiang Province (grant Nos. 1055HZ001, ZJG0504 and JC200605) and Heilongjiang University.

supplementary crystallographic information

Comment

As shown in Fig. 1, Co^II is four-coordinated in a square planar environment as the ligating Schiff base is a tetradentate ligand (Table 1). The co-crystallized water molecule does not coordinate to the Co ion. Its position is stabilized by bifurcated O—H···O hydrogen bonds (Table 2). It is also worth noting that stabilizing π–π ring interactions may occur between symmetry center related phenyl C1 -> C6 and C7 -> O1 heteroatomic rings, as show in Fig. 2. The π–π center to center distance is 3.5661 (8) Å. Together with an almost perfect rings-to-rings matching this may indicate appreciable interactions.

Experimental

The title complex was obtained by the treatment of cobalt(II) acetate tetrahydrate with the neutral Schiff base in methanol/acetone (1:2). The yellow clear mixture turned to salmon pink precipitation after stirred for 4 h; diethyl ether was allowed to diffuse slowly into the solution of the filtrate. Red single crystals were obtained after several days.Analysis calculated for C₂₂H₂₆Co_N2_O5: C, 57.77; H, 5.73; N, 6.12; Co, 12.88; found: C, 57.56; H, 5.23; N, 6.77; Co, 12.79%.