Startseite Crystal structure of catena-poly[(μ2-3,3′-thiodipropionato-κ2O:O′)-(bipyridine-κ2N,N′)copper(II)] C16H16CuN2O4S
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Crystal structure of catena-poly[(μ2-3,3′-thiodipropionato-κ2O:O′)-(bipyridine-κ2N,N′)copper(II)] C16H16CuN2O4S

  • Yusheng Li EMAIL logo und Dawei Lan
Veröffentlicht/Copyright: 1. August 2018

Abstract

C16H16CuN2O4S, monoclinic, P21/c (no. 14), a = 10.0742(14) Å, b = 15.843(2) Å, c = 10.3745(15) Å, V = 1643.0(4) Å3, Z = 4, Rgt(F) = 0.0335, wRref(F2) = 0.0666, T = 273(2) K.

CCDC no.: 1851692

Source of materials

The reaction was carried out by the solvothermal method. 3,3′-Thiodipropionic acid thiodiacetic acid (0.395 g, 1 mmol), copper(II) acetate (0.199 g, 1 mmol) and 2,2′-bipyridine (0.156 g, 1 mmol) were added to the airtight vessel with the ratio of ethanol and water 1:2 reacting in 393 K for 3 days. The resulting blue solution was filtered. The filtrate was placed for several days yielding blue block-shaped crystals.

Table 1:

Data collection and handling.

Crystal:Block, blue
Size:2.9 × 2.6 × 2.2 mm
Wavelength:Mo Kα radiation (λ = 0.71073 Å)
μ:1.479 mm−1
Diffractometer, scan mode:Bruker APEX II, Φ and ω-scans
2θmax, completeness:27.5°, >99%
N(hkl)measured, N(hkl)unique, Rint:10083, 3738, 0.0429
Criterion for Iobs, N(hkl)gt:Iobs > 2σ(Iobs), 2609
N(param)refined:217
Programs:Bruker programs [1], SHELX [2]
Table 2:

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

AtomxyzUiso*/Ueq
Cu10.35467(3)0.07738(2)0.27169(3)0.03618(10)
N10.45341(18)−0.02601(11)0.23193(17)0.0353(5)
N20.25102(18)0.04832(11)0.10036(18)0.0343(5)
O10.22703(16)0.16156(10)0.31474(15)0.0432(4)
O20.18393(18)0.05126(11)0.43105(19)0.0631(6)
O3−0.50493(16)0.11366(11)0.40913(15)0.0447(4)
O4−0.44737(17)0.16790(11)0.22878(16)0.0507(5)
S1−0.11241(7)0.20563(5)0.64109(6)0.0521(2)
C10.1644(2)0.12512(16)0.3984(2)0.0375(6)
C20.0651(2)0.17951(15)0.4577(2)0.0433(6)
H2A−0.0066500.1944160.3903170.052
H2B0.1092760.2314010.4885020.052
C30.0045(2)0.13926(16)0.5691(2)0.0467(7)
H3A0.0762140.1235240.6359820.056
H3B−0.0411260.0878780.5380150.056
C4−0.2719(2)0.16730(17)0.5617(2)0.0455(6)
H4A−0.2786860.1073740.5788460.055
H4B−0.3433820.1955150.5992220.055
C5−0.2912(2)0.18118(17)0.4170(2)0.0478(7)
H5A−0.2203660.1517520.3801000.057
H5B−0.2807060.2409430.4006930.057
C6−0.4233(2)0.15293(15)0.3464(2)0.0387(6)
C70.5534(2)−0.06223(15)0.3096(2)0.0427(6)
H70.579534−0.0390510.3911800.051
C80.6187(3)−0.13261(16)0.2724(3)0.0480(7)
H80.686382−0.1573810.3291310.058
C90.5832(3)−0.16609(15)0.1509(3)0.0482(7)
H90.627852−0.2128550.1233390.058
C100.4799(2)−0.12892(14)0.0704(2)0.0429(6)
H100.454805−0.150124−0.0126510.051
C110.4147(2)−0.06063(13)0.1138(2)0.0333(5)
C120.2994(2)−0.01777(14)0.0395(2)0.0339(5)
C130.2420(2)−0.04298(16)−0.0833(2)0.0438(6)
H130.275030−0.089275−0.1242990.053
C140.1348(3)0.00269(17)−0.1425(2)0.0513(7)
H140.094867−0.012712−0.2248340.062
C150.0870(2)0.07010(17)−0.0813(2)0.0477(7)
H150.0154250.101494−0.1213180.057
C160.1470(2)0.09075(15)0.0411(2)0.0411(6)
H160.1135880.1361120.0839280.049

Yield: 78% (based on Cu element), and elemental analysis: calc. for C16H16CuN2O4S: C 48.54, H 4.07, N 7.08; found: C 48.31, H 4.29, N 7.13. The elemental analyses were performed with PERKIN ELMER MODEL 2400 SERIES II.

Experimental details

All non-hydrogen atoms were refined anisotropically. Hydrogen atoms were assigned with common isotropic displacement factors Uiso(H) = 1.2 times Ueq (C, methylene and pyridine groups), and refined as riding on their parent atom.

Comment

The syntheses of coordination polymers have received great interest owing to their magnetic, luminescence, gas storage/separation, catalytic properties [3], [4], [5]. The general strategy for the design of coordination polymers relies on the utilization of multidentate ligands which can act as bridging ligands. It is well known that the most widely used multidentate ligands are polycarboxylates due to their diverse coordination modes in the construction of coordination polymers [6, 7] . In this study, 3,3′-thiodipropionic acid, as a flexible aliphatic dicarboxylic acid, has been used as a versatile educt. Moreover, the N-donor ligand was also used to obtain coordination polymers [8].

In this structure, the asymmetric unit of this title complex consist of a Cu(II) ion, one 2,2-bipy ligand and a 3,3′-thiodipropionato ligand, exibiting a four-coordinated geometry. The environment of Cu atom, growing by the symmetry operation, exhibits a four-coordinated with two N atoms from 2,2′-bipyridine and two O atoms from the 3,3′-thiodipropionato ligand. The first coordination sphere gives a slightly distorted square-planar geometry (cf. the figure). The distances of Cu—O bonds are 1.948(2) Å and 1.966(2) Å and Cu—N bonds are 1.991(2) Å and 2.001(3) Å, showing the different coordination modes of two Cu—O and Cu—N bonds. The 1D coordinated polymer was formed by the coordination bonds along the a axis.

Acknowledgements

Financial support from the Start Foundation of Inner Mongolia University of Science and Technology project (No. 2016QDL-S05) is gratefully acknowledged.

References

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Received: 2018-05-08
Accepted: 2018-06-26
Published Online: 2018-08-01
Published in Print: 2018-11-27

©2018 Yusheng Li et al., published by De Gruyter, Berlin/Boston

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

Artikel in diesem Heft

  1. Cover and Frontmatter
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  3. Crystal structure of diaqua-bis(2-bromo-4-chloro-6-formylphenolato-κ2O,O′)cobalt(II), C16H16Cl2CrN3O7
  4. Crystal structure of catena-poly[(μ2-1-(4-(1H-pyrazol-1-yl)phenyl)ethan-1-one-κ2N:O)-bis(1,1,1-trifluoro-4-oxo-4-(thiophen-2-yl)but-2-en-2-olato-κ2O,O′)copper(II)], C27H18CuF6N2O5S2
  5. Crystal structure of ethyl 2-amino-4-(3,5-difluorophenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carboxylate, C18H15F2NO5
  6. Crystal structure of 5,5′-dimethoxy-2,2′-[1,1′-(ethylenedioxydinitrilo)diethylidyne]diphenol, C20H24N2O6
  7. Crystal structure of (E)-1-(4-(((E)-3,5-dichloro-2-hydroxybenzylidene)amino)phenyl)ethan-1-one O-methyl oxime, C16H14Cl2N2O2
  8. Crystal structure of 2,3,9,10,16,17,23,24-octakis(2,6-dimethylphenoxy)phthalocyanine - trichloromethane (1/2), C98H84Cl6N8O8
  9. Crystal structure of methyl 2-((1-(2-(methoxycarbonyl)benzyl)-1H-1,2,3-triazol-4-yl)methoxy)-1-naphthoate, C24H21N3O5
  10. Crystal structure of catena-poly[(μ2-3,3′-thiodipropionato-κ2O:O′)-(bipyridine-κ2N,N′)copper(II)] C16H16CuN2O4S
  11. Crystal structure of [4-chloro-2-(((2-((3-ethoxy-2-oxidobenzylidene)amino)phenyl)imino)(phenyl)methyl)phenolato-κ4N,N′,O,O′}nickel(II) - ethyl acetate (1/1), C32H29ClN2NiO5
  12. Crystal structure of (4-(4-chlorophenyl)-5-ethyl-1,3-dioxane-5-carboxylato-κ2O,O′)-(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4N,N′,N′′,N′′′)nickel(II) perchlorate monohydrate, C29H52Cl2N4NiO9
  13. Crystal structure of ethyl 2-amino-4-(3,4-dimethylphenyl)-7-methyl-5-oxo-4H,5H-pyrano[4,3-b]pyran-3-carboxylate, C20H21NO5
  14. Structure and photochromism of 1,2-bis[2-methyl-5-(3-quinolyl)-3-thienyl]-3,3,4,4,5,5-hexafluorocyclopent-1-ene, C33H20F6N2S2
  15. Crystal structure of catena-poly[diaqua-bis(μ2-3,5-di(1H-1,2,4-triazol-1-yl)benzoate-κ2N:N′)cobalt(II))] 2.5 hydrate, C22H23CoN12O8.50
  16. The crystal structure of dichlorido(1,3-dimesityl-1H-3λ4-imidazol-2-yl)(morpholine-κN)palladium(IV), C25H33Cl2N3OPd
  17. Crystal structure of catena-poly[bis(4,4′-dipyridylaminium-kN)-(μ2-germanowolframato-κ2O:O′)-(2,2′-bipyridine-κ2N,N′)copper(II)] with a Keggin-type heteropolyoxoanion, [Cu(C10H8N2)(C10H10N3)2][GeW12O40] ⋅ H2O
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  19. The crystal structure of 2-hydroxy-4-((2-hydroxy-4-methoxy-3,6-dimethylbenzoyl)oxy)-3,6-dimethylbenzoic acid–methanol (1/1), C20H24O8
  20. Crystal structure of guanidinium tetrapropylammonium bis(hydrogencarbonate) dihydrate, C15H40N4O8
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  22. Crystal structure of 2-(4-(4H-1,2,4-triazol-4-yl)phenyl)acetic acid, C10H9N3O4
  23. Crystal structure of 4,4′-(1,4-phenylene)bis(1H-imidazol-3-ium)bis(2-carboxybenzoate), C30H26N4O8
  24. Crystal structure of 4,4′-(4,10-diphenyl-4,10-dihydropyreno[4,5-d:9,10-d′]diimidazole-5,11-diyl)bis(N,N-diphenylaniline), C66H44N6
  25. Crystal structure of catena-poly[diaqua-bis(μ2-5-(3-(1H-imidazol-5-yl)phenyl)tetrazol-2-ido-κ2N:N′)cobalt(II)], C20H18CoN12O2
  26. Crystal structure of 1,3-dimethyl-2-(p-tolyl)-1H-perimidin-3-ium iodide 1.5 hydrate, C20H22IN2O1.5
  27. Crystal structure of 2-(4-methoxyphenyl)chromane, C16H16O2
  28. Crystal structure of poly[(μ2-2-carboxy-5-nitroisophthalato-κ2O:O′)-(μ2-4-((1H-imidazol-1-yl)methyl)pyridine-κ2N:N′)zinc(II)], C18H12N4O8Zn
  29. Crystal structure of bis(1-((2-ethyl-4-methyl-1H-imidazol-1-yl)methyl)-1H-benzo[d][1,2,3]triazole-κ2N:N′)tetraiodidodicadmium(II), [Cd2(C13H15N5)2I4]
  30. Crystal structure of tetramethylammonium bis(acetato-κ1O)-tetrakis(μ3-3-((hydroxyimino)methyl)-5-methoxy-2-oxidobenzoate-κ5O,O′:O′,N:O′′)tetrazinc(II) — N,N′-dimethylformamide — water (1/2/2), C62H96Zn4N10O28
  31. Crystal structure of poly[(μ4-5-tert-butylisophthalato-κ4O:O′:O′′:O′′′)-(1,3-dimethyl-2-imidazolidinone-κO)zinc(II)] C17H22N2O5Zn
  32. Crystal structure of [tris(2-benzimidazolylmethyl)amine-κ4N,N′,N′′,N′′′]-[(pyridine-2,6-dicarboxylato-κ2O,N)]cadmium(II)–methanol (1:3) C34H36CdN8O7
  33. The crystal structure of bis(1H-benzo[d]imidazol-2-amine-κN)-diiodidocadmium(II), C14H14CdI2N6
  34. Crystal structure of tetrakis(1H-benzimidazol-2-amine)-κN)-bis(μ2-sulfonato-κ2O:O′)dizinc(II) - methanol (1/1), C30H36N12O10S2Zn2
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  38. Crystal structure of 4-((E)-((E)-5-(2-fluorobenzylidene)-1-((4-fluorophenyl)sulfonyl)-4-oxopiperidin-3-ylidene)methyl)benzonitrile, C26H18F2N2O3S
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  43. Crystal structure of dimethyl (3aS,6R,6aS,7S)-1H,3H,6H,7H-3a,6:7,9a-diepoxybenzo[de]isochromene-3a1,6a-dicarboxylate, C16H16O7
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  45. Crystal structure of 8-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbaldehyde, C9H5F3N2O
  46. The crystal structure of N,N-diethyl-4,6-bis(naphthalen-2-yloxy)-1,3,5-triazin-2-amine, C27H24N4O2
  47. Crystal structure of 5-bromo-7-chloro-3,3a-dihydrocyclopenta[b]chromen-1(2H)-one, C12H8BrClO2
  48. Crystal structure of 2-(bis(4-fluorophenyl)methylene)hydrazine-1-carbothioamide, C14H11F2N3S
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