Home Physical Sciences Crystal structure of tris(μ2-2-(pyridin-2-yl)ethan-1-olato-κ3N,O:O)-trithiocyanato-κN-dicobalt(III), C24H24Co2N6O3S3
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Crystal structure of tris(μ2-2-(pyridin-2-yl)ethan-1-olato-κ3N,O:O)-trithiocyanato-κN-dicobalt(III), C24H24Co2N6O3S3

  • Wang Yanfei , Liu Nana , Liu Qingyun , Yang Liguo EMAIL logo and Wei Aimin
Published/Copyright: February 9, 2018

Abstract

C24H24Co2N6O3S3, triclinic, P1̅ (no. 2), a = 10.5658(9) Å, b = 11.1693(11) Å, c = 11.7054(14) Å, α = 79.200(1)°, β = 84.714(1)°, γ = 89.519(2)°, V = 1351.1(2) Å3, Z = 2, Rgt(F) = 0.0482, wRref(F2) = 0.1213, T = 298 K.

CCDC no.:: 1817203

Tables 1 and 2 contain details on crystal structure and measurement conditions and a list of the atoms including atomic coordinates and displacement parameters.

Table 1:

Data collection and handling.

Crystal:Block, black
Size:0.19 × 0.08 × 0.05 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:1.50 mm−1
Diffractometer, scan mode:Bruker SMART, φ and ω-scans
θmax, completeness:25°, >98%
N(hkl)measured, N(hkl)unique, Rint:7197, 4702, 0.038
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 3056
N(param)refined:343
Programs:Bruker programs [1], SADABS [2], SHELX [3]
Table 2:

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

AtomxyzUiso*/Ueq
Co10.30687(6)0.26333(6)0.29851(6)0.0348(2)
Co20.24503(6)0.04152(6)0.28834(6)0.0342(2)
S10.66636(16)0.46179(16)0.08387(16)0.0754(5)
S2−0.13807(15)−0.06905(18)0.16555(17)0.0781(5)
S30.19963(17)−0.28901(19)0.6002(2)0.1025(8)
N10.3415(4)0.3080(3)0.4471(3)0.0395(10)
N20.2043(4)0.4071(4)0.2502(4)0.0429(11)
N30.3448(4)−0.0559(3)0.1900(3)0.0371(10)
N40.4527(4)0.3481(4)0.2147(4)0.0434(11)
N50.0879(4)−0.0044(4)0.2417(4)0.0444(11)
N60.2303(4)−0.0919(4)0.4168(4)0.0472(11)
O10.1643(3)0.1645(3)0.3640(3)0.0366(8)
O20.2769(3)0.1851(3)0.1713(3)0.0350(8)
O30.3852(3)0.1095(3)0.3455(3)0.0338(8)
C10.1270(5)0.1471(4)0.4866(4)0.0436(13)
H1A0.18900.09760.52980.052*
H1B0.04520.10570.50420.052*
C20.1184(5)0.2715(5)0.5211(5)0.0537(15)
H2A0.07850.32830.46220.064*
H2B0.06640.26580.59470.064*
C30.2494(5)0.3175(4)0.5331(5)0.0448(13)
C40.2793(6)0.3592(5)0.6322(5)0.0561(15)
H40.21480.37130.68830.067*
C50.4004(7)0.3822(5)0.6475(5)0.0654(18)
H50.41970.41130.71340.079*
C60.4962(6)0.3622(5)0.5648(5)0.0571(16)
H60.58120.37210.57620.069*
C70.4626(5)0.3275(4)0.4658(5)0.0473(14)
H70.52650.31680.40850.057*
C80.1869(5)0.2344(5)0.0913(4)0.0461(13)
H8A0.15930.17030.05350.055*
H8B0.22890.29680.03130.055*
C90.0698(5)0.2897(5)0.1477(5)0.0468(13)
H9A0.00710.30780.09140.056*
H9B0.03260.23060.21340.056*
C100.1019(5)0.4050(5)0.1892(5)0.0446(13)
C110.0274(6)0.5099(6)0.1629(5)0.0605(16)
H11−0.04520.50700.12410.073*
C120.0621(6)0.6161(5)0.1943(5)0.0620(17)
H120.01450.68640.17550.074*
C130.1676(6)0.6179(5)0.2538(5)0.0621(17)
H130.19240.68890.27660.074*
C140.2356(5)0.5130(5)0.2789(5)0.0523(15)
H140.30780.51530.31830.063*
C150.5118(4)0.0837(5)0.3038(5)0.0436(13)
H15A0.57170.11070.35180.052*
H15B0.53070.12680.22410.052*
C160.5241(5)−0.0523(4)0.3085(4)0.0443(13)
H16A0.6135−0.07350.30450.053*
H16B0.4838−0.09530.38240.053*
C170.4642(5)−0.0930(4)0.2099(4)0.0392(12)
C180.5303(5)−0.1612(5)0.1388(5)0.0516(14)
H180.6129−0.18460.15310.062*
C190.4774(6)−0.1955(5)0.0471(5)0.0581(16)
H190.5214−0.24430.00090.070*
C200.3557(5)−0.1549(5)0.0256(5)0.0519(14)
H200.3165−0.1751-0.03620.062*
C210.2950(5)−0.0850(5)0.0967(4)0.0442(13)
H210.2148−0.05580.08000.053*
C220.5406(5)0.3963(4)0.1601(4)0.0420(12)
C23−0.0067(5)−0.0308(5)0.2117(5)0.0435(13)
C240.2170(5)−0.1728(6)0.4913(5)0.0511(14)

Source of material

To a methanolic solution (30 mL) of 2-(pyridin-2-yl)ethan-1-ol (3.08 mmol) and cobalt(II)acetate monohydrate (1.02 mmol), a methanolic solution (10 mL) of NaSCN (1.02 mmol) was added. The reaction mixture was allowed to stand at room temperature for several days. Dark green crystals formed, were filtered off and dried in vacuo. Yield 80%.

Experimental details

Hydrogen atoms were placed in their geometrically idealized positions and constrained to ride on their parent atoms.

Discussion

Specific coordination compounds have attracted attention due to their structures and wide applications in storage, separation, catalysis, biomedical and sensor materials, etc. [4], [5], [6]. Although promising results have been achieved, the rational design and synthesis of coordination complexes with unique structure and function still remain a challenge [7], [8], [9]. The ligand is one of the most important factors to construct coordination polymers. Coordination mode and competitive reactions with auxiliary ligands are important for targeted organic linkers. This study is a continuation of our research on the synthesis and structural characterization of complexes containing hydroxymethyl and hydroxyethyl groups.

As shown in the Figure, in the dinuclear complex the two Co(III) metal centers both having distorted octahedral geometry. One Co atom is coordinated by three O atoms from the three 2-hydroxyethylpyridine bridging ligands, two N atoms from the 2-hydroxyethylpyridine ligand and one thiocyanato group (Co2, cf. the figure), while the other Co atom (Co1) is coordinated by the same three O atoms, one N atom from an 2-hydroxyethylpyridine ligand and two thiocyanato ligands.

Acknowledgements

This work was supported by Henan science and technology project (Nos. 172102210161, 172102210160, 172102310166) and the Research Fund of Anyang Institute of Technology (Nos. YJJ2016014).

References

Bruker: APEX2, SAINT and SADABS. Brucker AXS Inc., Madison, WI, USA (2009).Search in Google Scholar

Sheldrick, G. M.: SADABS, A Software for Empirical Absorption Correction; University of Göttingen: Göttingen, Germany (1997).Search in Google Scholar

SHELXL Reference Manual, version 5.1; Bruker Analytical X-Ray Systems: Madison, WI, USA (1997).Search in Google Scholar

Liu, Q. Y.; Yang, Y. T.; Lv, X. T.; Ding, Y. N.; Zhang, Y. Z.; Jing, J. J.; Xu, C. X.: One-step synthesis of uniform nanoparticles of porphyrin functionalized ceria with promising peroxidase mimetics for H2O2 and glucose colorimetric detection. Sensors and Actuators B: Chem. 240 (2017) 726–734.10.1016/j.snb.2016.09.049Search in Google Scholar

Liu, Q. Y.; Zhao, Q. R.; Li, Y.; Wang, X. Y.: CdCl2⋅H2O nanorods oriented parallel on the langmuir film of (phthalocyaninato) [tetrakis(4-pyridyl)porphyrinato] cerium complex. CrystEngComm. 14 (2012) 1105–1110.10.1039/C1CE05702BSearch in Google Scholar

Liu, Q. Y.; Yang, Y. T.; Li, H.; Zhu, R. R.; Shao, Q.; Yang, S. G.; Xu, J. J.: NiO nanoparticles modified with 5,10,15,20-tetrakis(4-carboxylpheyl)-porphyrin: Promising peroxidase mimetics for H2O2 and glucose detection. Biosens. Bioelectron. 64 (2015) 147–153.10.1016/j.bios.2014.08.062Search in Google Scholar PubMed

Chen, M. M.; Ding, Y. N.; Gao, Y.; Zhu, X. X.; Wang, P.; Shi, Z. Q.; Liu, Q. Y.: N,N′-di-caboxy methyl perylene diimides (PDI) functionalized CuO nanocomposites with enhanced peroxidase-like activity and their application in visual biosensing of H2O2 and glucose. RSC Advances. 26 (2017) 25220–25228.10.1039/C7RA04463ASearch in Google Scholar

Song, J. F.; Zhang, J.; Zhou, R. S.; Sun, L.; Hu, T. P.; Li, Q. L.: Syntheses and crystal structures of four new fpa-metal complexes through in situ ligand reaction. J. Coord. Chem. 65 (2012) 4375–4388.10.1080/00958972.2012.740557Search in Google Scholar

Wang, X.; Lv, H. C.; Yang, L. G.; Dai, Y. Q.: Crystal structure of bis(μ2-azido-κ2N:N)-dichlorido-bis(μ2-2-(pyridin-2-yl)ethan-1-ol-κ2O,N) dicopper(II), C14H18Cl2Cu2N8O2. Z. Kristallogr. NCS. 232 (2017) 385–386.Search in Google Scholar

Received: 2017-8-9
Accepted: 2018-1-16
Published Online: 2018-2-9
Published in Print: 2018-3-28

©2018 Wang Yanfei et al., published by De Gruyter, Berlin/Boston

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.

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