Triaqua(2-{[(E)-5-formyl-2-oxidobenzyl­idene]amino}ethanesulfonato)cobalt(II) dihydrate

Ju-Lan Zeng; Yi-Min Jiang; Li-Xian Sun; Zhong Cao; Dao-Wu Yang

doi:10.1107/S1600536809031274

. 2009 Aug 12;65(Pt 9):m1067–m1068. doi: 10.1107/S1600536809031274

Triaqua(2-{[(E)-5-formyl-2-oxidobenzylidene]amino}ethanesulfonato)cobalt(II) dihydrate

Ju-Lan Zeng ^a,^*, Yi-Min Jiang ^b, Li-Xian Sun ^a, Zhong Cao ^a, Dao-Wu Yang ^a

PMCID: PMC2969992 PMID: 21577424

Abstract

The title compound, [Co(C₁₀H₉NO₅S)(H₂O)₃]·2H₂O, is a cobalt–Schiff base complex derived from taurine. There are two complex molecules and four solvent water molecules in the asymmetric unit. The central Co atom is six coordinated by two O atoms and one N atom of the ligand and three O atoms of water molecules, forming a slightly distorted octahedral geometry. The crystal structure is stabilized by several O—H⋯O hydrogen bonds.

Related literature

For general background, see Roth et al. (1993 ▶); Casella & Gullotti (1981 ▶, 1986 ▶); Wang et al. (1994 ▶). For related structures, see Zeng et al. (2003 ▶); Jiang et al. (2003 ▶); (2004 ▶); Zhang et al. (2004 ▶, 2005 ▶); Liu et al. (2005 ▶); Li et al. (2006 ▶, 2007 ▶); Qin et al. (2008 ▶).

Experimental

Crystal data

[Co(C₁₀H₉NO₅S)(H₂O)₃]·2H₂O
M _r = 404.25
Triclinic,
a = 7.748 (1) Å
b = 11.267 (3) Å
c = 18.941 (4) Å
α = 79.04 (2)°
β = 78.81 (1)°
γ = 89.59 (2)°
V = 1591.6 (6) Å³
Z = 4
Mo Kα radiation
μ = 1.26 mm⁻¹
T = 296 K
0.56 × 0.42 × 0.32 mm

Data collection

Siemens P4 diffractometer
Absorption correction: multi-scan (SADABS; Sheldrick, 1996 ▶) T _min = 0.852, T _max = 1.000 (expected range = 0.569–0.668)
6449 measured reflections
5764 independent reflections
4393 reflections with I > 2σ(I)
R _int = 0.014
3 standard reflections every 97 reflections intensity decay: 5.2%

Refinement

R[F ² > 2σ(F ²)] = 0.038
wR(F ²) = 0.115
S = 1.06
5764 reflections
464 parameters
12 restraints
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.85 e Å⁻³
Δρ_min = −0.56 e Å⁻³

Data collection: XSCANS (Siemens, 1994 ▶); cell refinement: XSCANS; data reduction: SHELXTL (Sheldrick, 2008 ▶); program(s) used to solve structure: SHELXS97 (Sheldrick, 2008 ▶); program(s) used to refine structure: SHELXL97 (Sheldrick, 2008 ▶); molecular graphics: SHELXTL; software used to prepare material for publication: publCIF (Westrip, 2009 ▶).

Supplementary Material

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536809031274/bt5026sup1.cif

e-65-m1067-sup1.cif^{(29.2KB, cif)}

Structure factors: contains datablocks I. DOI: 10.1107/S1600536809031274/bt5026Isup2.hkl

e-65-m1067-Isup2.hkl^{(282.2KB, 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
O6—H6OA⋯O2ⁱ	0.825 (10)	1.954 (14)	2.772 (4)	171 (5)
O6—H6OB⋯O9ⁱⁱ	0.820 (10)	1.945 (18)	2.739 (3)	163 (5)
O7—H7OA⋯O13	0.816 (10)	2.45 (3)	3.194 (6)	153 (5)
O7—H7OB⋯O20	0.817 (10)	2.12 (3)	2.877 (9)	155 (7)
O8—H8OA⋯O17	0.827 (10)	1.924 (14)	2.742 (5)	170 (4)
O8—H8OB⋯O5ⁱⁱⁱ	0.816 (10)	1.996 (13)	2.807 (4)	173 (5)
O14—H14A⋯O1	0.818 (10)	1.938 (17)	2.732 (3)	163 (5)
O14—H14B⋯O10^iv	0.819 (10)	1.968 (12)	2.784 (4)	175 (5)
O15—H15B⋯O5ⁱⁱⁱ	0.815 (10)	2.28 (4)	3.012 (5)	150 (7)
O15—H15A⋯O19	0.818 (10)	2.17 (5)	2.831 (7)	138 (7)
O16—H16A⋯O18	0.818 (10)	1.875 (12)	2.691 (5)	175 (4)
O16—H16B⋯O13ⁱⁱⁱ	0.817 (10)	1.945 (17)	2.748 (5)	167 (6)

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Symmetry codes: (i) Inline graphic ; (ii) ; (iii) ; (iv) .

Acknowledgments

This work was supported by the National Natural Science Foundation of China under NSFC grant Nos. 50671098 and 20775010, and by the Natural Science Foundation of Guangxi Province of China (0339034).

supplementary crystallographic information

Comment

In the title compound, there are two complex molecules and four solvent water molecules in the asymetric unit (Fig. 1). The central Co^II of the title compound is six coordinated with two O atoms, one N atom from the Schiff base ligand and three O atoms from the coordinated water, forming an slightly distorted octahedron structure. The Co atom forms two six-membered chelating rings with the ligand. The bond lengths and angles involving Co1 and Co2 show minor differences between the two complex molecules in the asymetric unit. The coordinating environment of central Co atom is similar to that reported by Qin et al. (2008). However, in the title compound, the bond length of the central Co and the O of sulfonate group (Co(1)—O(3) 2.085 (3) Å, Co(2)—O(11) 2.096 (3) Å) are shorter than that of central Co and O of coordinated water, and are even shorter than that of central Co and N of imine group. It indicates that the coordinating capability of the O atom of sulfonate group is stronger than that of water and N of imine group, derived from the two conjugated chelating rings and the electron-withdraw group of formyl on the benzene ring. With O—H···O hydrogen bonds, a three-dimensional network is formed as shown in Fig. 2.

Experimental

The synthesis of the potassium salt of the Schiff base ligand 2-{[(E)-(2-hydroxy-5{[(2- sulfoethyl)imino]methyl}phenyl)methylidene]amino}-1- ethanesulfonic acid was reported previously (Zeng et al., 2003). 1.0 mmol of ligand was dissolved in 15 ml of water. To this solution, 1.0 mmol of CoAc₂.4H₂O was added dropwise within 30 minutes while the mixture was stirred and heated at 50 °C. The mixture was stirred and heated at 50 °C for another 6 h, then cooled to room temperature. After filtration, the filtrate was left to stand at room temperature. Dark-red crystals suitable for X-raydiffraction were isolated several days later by natural evaporation, washed with methanol and dried in air. Yield 36%. Found(%): C, 29.03; H, 4.86; N,3.96, C₁₀H₁₉CoNO₁₀S. Calcd.(%): C, 29.71; H, 4.70%; N,3.47%. IR: 1042.3, 1147.1, 1185.1, 1216.3(υ -SO₃^-); 1629.5(υ_C=N); 3407.9(υ_O—H).