catena-Poly[cobalt(II)-bis­(μ-2-amino­ethane­sulfonato)-κ3N,O:O′;κ3O:N,O′]

Yang, F.; Liu, X.-H.; Zhao, C.-Q.

doi:10.1107/S1600536810038481

metal-organic compounds

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ISSN: 2056-9890

Volume 66| Part 10| October 2010| Pages m1343-m1344

doi:10.1107/S1600536810038481

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catena-Poly[cobalt(II)-bis(μ-2-aminoethanesulfonato)-κ³N,O:O′;κ³O:N,O′]

Feng Yang,^a ^* Xu-Hui Liu ^b and Cheng-Qiang Zhao ^b

^aKey Laboratory for the Chemistry and Molecular Engineering of Medicinal Resources (Ministry Education of China), School of Chemistry & Chemical Engineering, Guangxi Normal University, Guilin 541004, People's Republic of China, and ^bDepartment of Chemistry and Life Science, Hechi University, Yizhou, Guangxi 546300, People's Republic of People's Republic of China
^*Correspondence e-mail: yangfenggx_2010@163.com

(Received 15 September 2010; accepted 26 September 2010; online 30 September 2010)

The hydrothermally prepared title compound, [Co(C₂H₆NO₃S)₂]_n, is isotypic with its Ni^II analogue. The Co^II cation is in a distorted octahedral environment, coordinated by four sulfonate O atoms and two N atoms from the taurine ligands. In comparison with the Ni^II analogue, the Co—N and Co—O bonds are longer than the Ni—N and Ni—O bonds, whereas all other bond lengths and angles as well as the hydrogen-bonding motifs are very similar in the two structures. The sulfonate groups doubly bridge symmetry-related Co^II atoms, forming polymeric chains along the a axis. N—H⋯O hydrogen bonding interactions consolidate the crystal packing.

Related literature

For the isotypic Ni^II structure, see: Yang et al. (2010 ). For general background to taurine complexes and their derivatives, see: Bottari & Festa (1998 ); Zhang & Jiang (2002 ); Zhong et al. (2003 ); Cai et al. (2004 ); Jiang et al. (2005 ); Cai et al. (2006 ).

Experimental

Crystal data

[Co(C₂H₆NO₃S)₂]
M_r = 307.21
Monoclinic, P 2₁ /n
a = 5.139 (2) Å
b = 8.278 (4) Å
c = 11.737 (5) Å
β = 97.542 (6)°
V = 495.0 (4) Å³
Z = 2
Mo Kα radiation
μ = 2.17 mm⁻¹
T = 293 K
0.45 × 0.25 × 0.10 mm

Data collection

Bruker SMART APEX CCD area-detector diffractometer
Absorption correction: multi-scan (SADABS; Bruker, 1999 ) T_min = 0.527, T_max = 0.805
2173 measured reflections
974 independent reflections
931 reflections with I > 2σ(I)
R_int = 0.032

Refinement

R[F² > 2σ(F²)] = 0.031
wR(F²) = 0.083
S = 1.11
974 reflections
77 parameters
H atoms treated by a mixture of independent and constrained refinement
Δρ_max = 0.61 e Å⁻³
Δρ_min = −0.74 e Å⁻³

Table 1
Selected bond lengths (Å)

Co1—N1ⁱ	2.112 (2)
Co1—N1ⁱⁱ	2.112 (2)
Co1—O1ⁱ	2.1231 (18)
Co1—O1ⁱⁱ	2.1231 (18)
Co1—O2	2.1473 (18)
Co1—O2ⁱⁱⁱ	2.1473 (18)
Symmetry codes: (i) x-1, y, z; (ii) -x+1, -y+2, -z+2; (iii) -x, -y+2, -z+2.

Table 2
Hydrogen-bond geometry (Å, °)

D—H⋯A	D—H	H⋯A	D⋯A	D—H⋯A
N1—H1C⋯O3^iv	0.86 (3)	2.43 (3)	3.148 (3)	142 (3)
N1—H1D⋯O3^v	0.86 (3)	2.35 (3)	3.135 (3)	151 (3)
Symmetry codes: (iv) $[-x+{\script{3\over 2}}, y-{\script{1\over 2}}, -z+{\script{3\over 2}}]$ ; (v) $[x+{\script{1\over 2}}, -y+{\script{3\over 2}}, z+{\script{1\over 2}}]$ .

Data collection: SMART (Bruker, 1999); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT; 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.

Supporting information

Crystal structure: contains datablocks I, global. DOI: 10.1107/S1600536810038481/zq2061sup1.cif

Structure factors: contains datablock I. DOI: 10.1107/S1600536810038481/zq2061Isup2.hkl

checkCIF report

Comment top

Taurine, an amino acid containing sulfur, is indispensable to human beings because of its important physiological functions (Bottari & Festa, 1998). Some metal complexes of the deprotonated sulfonic acid-type amino-acid taurine, C₂H₆NO₃S^-, have been reported (Cai et al., 2004; Jiang et al., 2005; Cai et al., 2006). As part of our investigations into novel structures of taurine complex, we have synthesized the title compound, a new Co^II complex.

The coordinated modes of the title compound are similar to our previously reported Ni^II structure (Yang et al., 2010). As shown in Fig. 1, the Co^II atom is coordinated by four sulfonate O atoms and to two N atoms of the taurine ligands, displaying a distorted octahedral coordination geometry. Neighbouring Co^II atoms are bridged by two sulfonate anions to form zigzag polymeric chains along the a axis, as shown in Fig. 2. The polymeric chain has a repeat unit formed by two taurine ligands and two Co^II atoms related by an inversion centre, which coincides with the centre of the eight-membered Co₂S₂O₄ ring. The shortest distance between two Co atoms is 5.139 (6) Å.

In the structure of the title compound there are two symmetry-independent 'active' H atoms; both of them belong to the NH₂ group of the taurine ligand. They form intramolecular hydrogen bonds with sulfonate atom O₃.

Related literature top

For the isotypic Ni^II structure, see: Yang et al. (2010). For general background to taurine complexes and their derivatives, see: Bottari & Festa (1998); Zhang & Jiang (2002); Zhong et al. (2003); Cai et al. (2004); Jiang et al. (2005); Cai et al. (2006).

Experimental top

A solution of taurine (1.0 mmol) and KOH (1.0 mmol) in anhydrous methanol (10 ml) was added slowly to a solution of Co(CH₃COO)₂ (1.0 mmol) in anhydrous methanol (10 ml). After stirring for 10 min, it was then dropped into a 25 ml Teflon-lined stainless steel reactor and heated at 383 K for six days. Thereafter, the reactor was slowly cooled to room temperature and pink block-shaped crystals suitable for X-ray diffraction were collected.

Computing details top

Data collection: SMART (Bruker, 1999); cell refinement: SAINT (Bruker, 1999); data reduction: SAINT (Bruker, 1999); 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 (Sheldrick, 2008).

Figures top

	Fig. 1. A segment of the polymeric structure of (I) with 30% probability displacement ellipsoids (arbitrary spheres for H atoms)
	Fig. 2. The one-dimensional polymeric chain of the title complex

catena-Poly[cobalt(II)-bis(µ-2-aminoethanesulfonato)- κ³N,O:O';κ³O:N,O'] top

Crystal data top

[Co(C₂H₆NO₃S)₂]	F(000) = 314
M_r = 307.21	D_x = 2.061 Mg m⁻³
Monoclinic, P2₁/n	Mo Kα radiation, λ = 0.71073 Å
Hall symbol: -P 2yn	Cell parameters from 717 reflections
a = 5.139 (2) Å	θ = 2.5–27.6°
b = 8.278 (4) Å	µ = 2.17 mm⁻¹
c = 11.737 (5) Å	T = 293 K
β = 97.542 (6)°	Prism, red
V = 495.0 (4) Å³	0.45 × 0.25 × 0.10 mm
Z = 2

Data collection top

Bruker SMART APEX CCD area-detector diffractometer	974 independent reflections
Radiation source: fine-focus sealed tube	931 reflections with I > 2σ(I)
Graphite monochromator	R_int = 0.032
ϕ and ω scans	θ_max = 26.0°, θ_min = 3.0°
Absorption correction: multi-scan (SADABS; Bruker, 1999)	h = −5→6
T_min = 0.527, T_max = 0.805	k = −10→10
2173 measured reflections	l = −14→11

Refinement top

Refinement on F²	Secondary atom site location: difference Fourier map
Least-squares matrix: full	Hydrogen site location: inferred from neighbouring sites
R[F² > 2σ(F²)] = 0.031	H atoms treated by a mixture of independent and constrained refinement
wR(F²) = 0.083	w = 1/[σ²(F_o²) + (0.0517P)² + 0.269P] where P = (F_o² + 2F_c²)/3
S = 1.11	(Δ/σ)_max = 0.004
974 reflections	Δρ_max = 0.61 e Å⁻³
77 parameters	Δρ_min = −0.74 e Å⁻³
0 restraints	Extinction correction: SHELXL97 (Sheldrick, 2008), Fc^*=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4
Primary atom site location: structure-invariant direct methods	Extinction coefficient: 0.060 (5)

Crystal data top

[Co(C₂H₆NO₃S)₂]	V = 495.0 (4) Å³
M_r = 307.21	Z = 2
Monoclinic, P2₁/n	Mo Kα radiation
a = 5.139 (2) Å	µ = 2.17 mm⁻¹
b = 8.278 (4) Å	T = 293 K
c = 11.737 (5) Å	0.45 × 0.25 × 0.10 mm
β = 97.542 (6)°

Data collection top

Bruker SMART APEX CCD area-detector diffractometer	974 independent reflections
Absorption correction: multi-scan (SADABS; Bruker, 1999)	931 reflections with I > 2σ(I)
T_min = 0.527, T_max = 0.805	R_int = 0.032
2173 measured reflections

Refinement top

R[F² > 2σ(F²)] = 0.031	0 restraints
wR(F²) = 0.083	H atoms treated by a mixture of independent and constrained refinement
S = 1.11	Δρ_max = 0.61 e Å⁻³
974 reflections	Δρ_min = −0.74 e Å⁻³
77 parameters

Special details top

Geometry. All e.s.d.'s (except the e.s.d. in the dihedral angle between two l.s. planes) are estimated using the full covariance matrix. The cell e.s.d.'s are taken into account individually in the estimation of e.s.d.'s in distances, angles and torsion angles; correlations between e.s.d.'s in cell parameters are only used when they are defined by crystal symmetry. An approximate (isotropic) treatment of cell e.s.d.'s is used for estimating e.s.d.'s involving l.s. planes.

Refinement. Refinement of F² against ALL reflections. The weighted R-factor wR and goodness of fit S are based on F², conventional R-factors R are based on F, with F set to zero for negative F². The threshold expression of F² > σ(F²) is used only for calculating R-factors(gt) etc. and is not relevant to the choice of reflections for refinement. R-factors based on F² are statistically about twice as large as those based on F, and R- factors based on ALL data will be even larger.

Fractional atomic coordinates and isotropic or equivalent isotropic displacement parameters (Å²) top

	x	y	z	U_iso*/U_eq
Co1	0.0000	1.0000	1.0000	0.0180 (2)
S1	0.46596 (10)	0.95782 (7)	0.81328 (4)	0.0169 (2)
O1	0.6587 (3)	1.0572 (2)	0.88479 (14)	0.0225 (4)
O2	0.2126 (3)	0.9583 (3)	0.85700 (15)	0.0258 (4)
O3	0.4389 (4)	1.0020 (2)	0.69293 (16)	0.0270 (5)
C1	0.5838 (5)	0.7567 (3)	0.82176 (19)	0.0235 (5)
H1A	0.4506	0.6868	0.7816	0.028*
H1B	0.7377	0.7502	0.7822	0.028*
C2	0.6547 (4)	0.6942 (3)	0.9429 (2)	0.0239 (5)
H2A	0.5260	0.7317	0.9904	0.029*
H2B	0.6508	0.5771	0.9423	0.029*
N1	0.9179 (4)	0.7500 (3)	0.99249 (18)	0.0209 (4)
H1C	1.028 (6)	0.708 (4)	0.952 (3)	0.025*
H1D	0.958 (5)	0.710 (4)	1.060 (3)	0.025*

Atomic displacement parameters (Å²) top

	U¹¹	U²²	U³³	U¹²	U¹³	U²³
Co1	0.0176 (3)	0.0184 (3)	0.0184 (3)	−0.00135 (15)	0.00344 (18)	−0.00035 (15)
S1	0.0165 (3)	0.0198 (3)	0.0151 (3)	0.0000 (2)	0.0049 (2)	−0.0009 (2)
O1	0.0242 (8)	0.0185 (8)	0.0244 (8)	−0.0001 (7)	0.0018 (6)	−0.0018 (7)
O2	0.0201 (9)	0.0356 (10)	0.0236 (9)	0.0009 (7)	0.0094 (7)	0.0004 (7)
O3	0.0310 (10)	0.0332 (11)	0.0176 (9)	0.0002 (7)	0.0060 (7)	0.0020 (6)
C1	0.0257 (12)	0.0195 (11)	0.0251 (12)	0.0017 (9)	0.0029 (9)	−0.0067 (9)
C2	0.0247 (12)	0.0182 (11)	0.0299 (12)	−0.0026 (9)	0.0083 (9)	0.0021 (9)
N1	0.0229 (10)	0.0208 (10)	0.0195 (9)	−0.0010 (9)	0.0042 (7)	0.0016 (8)

Geometric parameters (Å, º) top

Co1—N1ⁱ	2.112 (2)	O1—Co1^iv	2.1231 (18)
Co1—N1ⁱⁱ	2.112 (2)	C1—C2	1.512 (3)
Co1—O1ⁱ	2.1231 (18)	C1—H1A	0.9700
Co1—O1ⁱⁱ	2.1231 (18)	C1—H1B	0.9700
Co1—O2	2.1473 (18)	C2—N1	1.475 (3)
Co1—O2ⁱⁱⁱ	2.1473 (18)	C2—H2A	0.9700
S1—O3	1.4481 (19)	C2—H2B	0.9700
S1—O2	1.4610 (17)	N1—Co1^iv	2.112 (2)
S1—O1	1.4642 (18)	N1—H1C	0.86 (3)
S1—C1	1.769 (3)	N1—H1D	0.86 (3)

N1ⁱ—Co1—N1ⁱⁱ	180.000 (1)	S1—O1—Co1^iv	132.83 (11)
N1ⁱ—Co1—O1ⁱ	92.76 (7)	S1—O2—Co1	147.49 (11)
N1ⁱⁱ—Co1—O1ⁱ	87.24 (7)	C2—C1—S1	114.40 (16)
N1ⁱ—Co1—O1ⁱⁱ	87.24 (7)	C2—C1—H1A	108.7
N1ⁱⁱ—Co1—O1ⁱⁱ	92.76 (7)	S1—C1—H1A	108.7
O1ⁱ—Co1—O1ⁱⁱ	180.000 (1)	C2—C1—H1B	108.7
N1ⁱ—Co1—O2	85.93 (8)	S1—C1—H1B	108.7
N1ⁱⁱ—Co1—O2	94.07 (8)	H1A—C1—H1B	107.6
O1ⁱ—Co1—O2	90.03 (7)	N1—C2—C1	111.05 (18)
O1ⁱⁱ—Co1—O2	89.97 (7)	N1—C2—H2A	109.4
N1ⁱ—Co1—O2ⁱⁱⁱ	94.07 (8)	C1—C2—H2A	109.4
N1ⁱⁱ—Co1—O2ⁱⁱⁱ	85.93 (8)	N1—C2—H2B	109.4
O1ⁱ—Co1—O2ⁱⁱⁱ	89.97 (7)	C1—C2—H2B	109.4
O1ⁱⁱ—Co1—O2ⁱⁱⁱ	90.03 (7)	H2A—C2—H2B	108.0
O2—Co1—O2ⁱⁱⁱ	180.000 (1)	C2—N1—Co1^iv	119.40 (15)
O3—S1—O2	111.46 (11)	C2—N1—H1C	107 (2)
O3—S1—O1	112.86 (11)	Co1^iv—N1—H1C	106 (2)
O2—S1—O1	111.35 (11)	C2—N1—H1D	109.7 (19)
O3—S1—C1	106.30 (10)	Co1^iv—N1—H1D	109 (2)
O2—S1—C1	107.27 (12)	H1C—N1—H1D	105 (3)
O1—S1—C1	107.20 (11)

Symmetry codes: (i) x−1, y, z; (ii) −x+1, −y+2, −z+2; (iii) −x, −y+2, −z+2; (iv) x+1, y, z.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1C···O3^v	0.86 (3)	2.43 (3)	3.148 (3)	142 (3)
N1—H1D···O3^vi	0.86 (3)	2.35 (3)	3.135 (3)	151 (3)

Symmetry codes: (v) −x+3/2, y−1/2, −z+3/2; (vi) x+1/2, −y+3/2, z+1/2.

Experimental details

Crystal data
Chemical formula	[Co(C₂H₆NO₃S)₂]
M_r	307.21
Crystal system, space group	Monoclinic, P2₁/n
Temperature (K)	293
a, b, c (Å)	5.139 (2), 8.278 (4), 11.737 (5)
β (°)	97.542 (6)
V (Å³)	495.0 (4)
Z	2
Radiation type	Mo Kα
µ (mm⁻¹)	2.17
Crystal size (mm)	0.45 × 0.25 × 0.10

Data collection
Diffractometer	Bruker SMART APEX CCD area-detector diffractometer
Absorption correction	Multi-scan (SADABS; Bruker, 1999)
T_min, T_max	0.527, 0.805
No. of measured, independent and observed [I > 2σ(I)] reflections	2173, 974, 931
R_int	0.032
(sin θ/λ)_max (Å⁻¹)	0.617

Refinement
R[F² > 2σ(F²)], wR(F²), S	0.031, 0.083, 1.11
No. of reflections	974
No. of parameters	77
H-atom treatment	H atoms treated by a mixture of independent and constrained refinement
Δρ_max, Δρ_min (e Å⁻³)	0.61, −0.74

Computer programs: SMART (Bruker, 1999), SAINT (Bruker, 1999), SHELXS97 (Sheldrick, 2008), SHELXL97 (Sheldrick, 2008), SHELXTL (Sheldrick, 2008).

Selected bond lengths (Å) top

Co1—N1ⁱ	2.112 (2)	Co1—O1ⁱⁱ	2.1231 (18)
Co1—N1ⁱⁱ	2.112 (2)	Co1—O2	2.1473 (18)
Co1—O1ⁱ	2.1231 (18)	Co1—O2ⁱⁱⁱ	2.1473 (18)

Symmetry codes: (i) x−1, y, z; (ii) −x+1, −y+2, −z+2; (iii) −x, −y+2, −z+2.

Hydrogen-bond geometry (Å, º) top

D—H···A	D—H	H···A	D···A	D—H···A
N1—H1C···O3^iv	0.86 (3)	2.43 (3)	3.148 (3)	142 (3)
N1—H1D···O3^v	0.86 (3)	2.35 (3)	3.135 (3)	151 (3)

Symmetry codes: (iv) −x+3/2, y−1/2, −z+3/2; (v) x+1/2, −y+3/2, z+1/2.

Acknowledgements

We are grateful to the Youth Fundation of Guangxi Province (No. 0832090) for funding this study. We also thank the Start-up Foundation for Advanced Talents of Hechi University (No. 2008QS-N019)

References

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