Startseite Naturwissenschaften Crystal structure of the dinuclear copper(II) complex bis(μ2-2,2′ -{[1,3-phenylenebis-(methylene)]bis(oxy)}dibenzoaot-κ4O,O′:O′′,O′′′)-bis(dimethylformamide-κ1O)dicopper(II), C50H44Cu2N2O14
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Crystal structure of the dinuclear copper(II) complex bis(μ2-2,2′ -{[1,3-phenylenebis-(methylene)]bis(oxy)}dibenzoaot-κ4O,O′:O′′,O′′′)-bis(dimethylformamide-κ1O)dicopper(II), C50H44Cu2N2O14

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Veröffentlicht/Copyright: 23. Oktober 2025

Abstract

C50H44Cu2N2O14, monoclinic, P21/c (no. 14), a = 12.186(2) Å, b = 19.289(2) Å, c = 10.777(1) Å, β = 79.02(2)°, V = 2355.5(5) Å3, Z = 2, R gt (F) = 0.0476, wRref (F2) = 0.1597, T = 273 (2) K. CCDC No. = 2446404.

The molecular structure is shown in the figure. Table 1 contains the crystallographic data and the list of the atoms including atomic coordinates and displacement parameters can be found in the cif-file attached to this article.

Table 1:

Data collection and handling.

Crystal: Clear greenish block
Size: 0.13 × 0.12 × 0.10 mm
Wavelength: Mo Kα radiation (0.71073 Å)
μ: 0.97 mm−1
Diffractometer, scan mode: Bruker APEX-II, φ and ω scans
θmax, completeness: 25.0°, 100 %
N(hkl)measured, N(hkl)unique, Rint: 66685, 4158, 0.086
Criterion for Iobs, N(hkl)gt: Iobs > 2 σ(Iobs), 3,483
N(param)refined: 297
Programs: Bruker, 1 Olex2, 2 SHELX 3

1 Source of materials

The starting material 2,2′-{[1,3-phenylenebis(methylene)]bis(oxy)}dibenzoic acid (0.05 mmol) and CuCl2 (0.05 mmol) were dissolved in a mixed solution of DMF–H2O (2 mL: 3 mL), and then heated in a 25 mL scintillation vial at 380 K for 48 h. After cooled to room temperature, the green block crystals suitable for single crystal X-ray diffraction were obtained.

2 Experimental details

The H atoms were sited at their idealized positions and refined through a riding mode on the parent atoms, with C–H = 0.96 Å (methyl), Uiso(H) = 1.5 Ueq(C), and C–H = 0.97 Å (methylene), Uiso(H) = 1.2 Ueq(C), and C–H = 0.93 Å (aromatic), Uiso(H) = 1.2 Uiso(C).

3 Comment

Supramolecular complexes featuring open channels, well-defined shapes, unique physical and chemical properties have drawn considerable attentions owing to their potential applications in catalysis, sensors and magnetism for decades. In this work, a binuclear copper complex was synthesized under solvothermal condition, 4 and its crystal structure was also determined.

Single crystal X-ray diffraction reveals that the title compound is a binuclear complex. The molecular structure is shown in the figure. As exhibited in the figure, each copper ion is coordinated by five oxygen atoms from two carboxylato ligands and one DMF molecule forming a distorted tetragonal pyramid geometry. The Cu–O bond lengths in the paddlewheel-like complex range from 1.951(2) to 2.130(2) Å, with an average of 1.991 Å. The O–Cu–O bond angles of the paddlewheel are within the range of 88.597(101) to 97.532(86)°. The distance of Cu1–Cu1a is 2.6017(5) Å, which is comparable to that of other copper compounds. 5 , 6

There are weak hydrogen bonds among neighbor copper complexes. For example, the C–H⋯O intermolecular hydrogen bonds, originated from the DMF and carboxyl oxygen of ligand or the benzene ring and carboxyl oxygen of ligand, connect with binuclear copper complexes to form an open 2-dimensional network along b axis.


Corresponding author: Hong-Mei Li, Nanchang Institute of Technology, Nanchang 330099, P.R. China, E-mail:

  1. Author contributions: All the authors have accepted responsibility for the entire content of this submitted manuscript and approved submission.

  2. Conflict of interest: The authors declare no conflicts of interest regarding this article.

  3. Research funding: Nanchang Institute of Technology.

References

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5. Li, A.; Ma, X.; Ma, J.; Yuan, Q.; Zhang, J.; Xuan, X. A self-made Portable Separation Device Based on 2–D MOF Nanosheets for the Efficient Separation of Dyes in Solutions. CrystEngComm 2021, 23, 3989–3994. https://doi.org/10.1039/D1CE00251A.Suche in Google Scholar

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Received: 2025-04-30
Accepted: 2025-10-05
Published Online: 2025-10-23
Published in Print: 2025-12-17

© 2025 the author(s), published by De Gruyter, Berlin/Boston

This work is licensed under the Creative Commons Attribution 4.0 International License.

Artikel in diesem Heft

  1. Frontmatter
  2. New Crystal Structures
  3. The crystal structure of (1Z, 2Z)-3-phenyl-2-propenal 2-(4-bromo-2-fluorophenyl)hydrazone, C15H12BrFN2
  4. Refinement of crystal structure of 2-(2,3-dihydro-3-oxo-1 H -inden-1-ylidene)-1 H -indene-1,3(2 H )-dione C18H10O3
  5. The crystal structure of 3-(1-fluoro-2-(naphthalen-2-yl)-2-oxoethyl)-2-methoxy-3,4-dihydroisoquinolin-1(2H)-one, C22H18FNO3
  6. Crystal structure of the dinuclear copper(II) complex bis(μ2-2,2′ -{[1,3-phenylenebis-(methylene)]bis(oxy)}dibenzoaot-κ4O,O′:O′′,O′′′)-bis(dimethylformamide-κ1O)dicopper(II), C50H44Cu2N2O14
  7. Crystal structure of poly[triaqua-(μ9-biphenyl-3,3′,5,5′-tetracarboxylic-κ8 O,O:O,O′: O,O″:O,O‴)samarium(III)sodium(I)], C16H12NaSmO11
  8. The crystal structure of 5-benzyl-1-(4-fluorobenzyl)-4-((4-fluorobenzyl)oxy)-1,5-dihydro-2H-pyrrol-2-one, C25H21F2NO2
  9. The crystal structure of diammonium 2,5-dihydroxyterephthalate, C8H12N2O6
  10. Crystal structure of (E)-4-(4-(1H-1,2,4-triazol-1-yl)benzylidene)-6,8-dimethoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one, C21H19N3O4
  11. Crystal structure of poly[oktakis(μ2-oxido-κ2O:O)-tetrakis(oxido-κ1O)-bis(μ2-1,1′-[1,4-phenylenebis(methylene)]di(1H-imidazole-κ2N:N′))-tetravanadium(V)-dizinc(II)] monohydrate, C28H30Zn2N8O13V4
  12. Crystal structure of acotiamide hydrochloride dimethylacetamide solvate (1/1), C25H40ClN5O6S
  13. Crystal structure of catena-poly[monoaqua (u2-(3-(3,5-dicarboxyphenyl)pyridine-2,6-dicarboxylic-k4O:O′:O″:N)zinc(II))] monohydrate, C15H11NO10Zn
  14. Crystal structure of dichlorido{2,6-bis(3,5-diisopropyl-N-pyrazolyl)pyridine}zinc(II), C23H33Cl2N5Zn
  15. Crystal structure of nitrato-κ2O,O′-[hydridotris(3,5-diethylpyrazol-1-yl)borato-κ3N,N′,N″]copper(II), C21H34BCuN7O3
  16. Crystal structure of 2,7-bis(3,5-diethyl-1H-pyrazol-4-yl)-benzo[lmn][3,8]phenanthroline-1,3,6,8(2H,7H)-tetrone, C28H26N6O4
  17. Crystal structure of 2-(4-chlorophenyl)benzothiazole, C13H8ClNS
  18. Synthesis and crystal structure (3R,4′S)-4′-(3,5-dibromophenyl)-1′-methyl-2H-dispiro [benzofuran-3,3′-pyrrolidine-2′,2″-indene]-1″,2,3″-trione, C26H17Br2NO4
  19. Crystal structure of bis(((3a,7a-dihydro-1H-benzo[d][1,2,3]triazol-1-yl)methyl) triphenylphosphonium) tetrachloridomanganate(II), C50H42Cl4MnN6P2
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  21. The crystal structure of poly((μ2-3-(3-nitro-4-carboxylphenyl)benzoate-κ3O, O′:O″)-μ2-1,4-bis(1-imidazolyl)benzene-κ2N:N′-cadmium(II)), C26H17N5O6Cd
  22. The crystal structure of 6-hydroxy-5H-pyrrolo[3,4-b]pyridine-5,7(6H)-dione monohydrate, C7H6N2O4
  23. Crystal structure of 4-((cyclohexylsulfonyl)methyl)-1,2,3,4-tetrahydrobenzo [4,5]imidazo[1,2-a]pyridine, C18H24N2O2S
  24. Crystal structure of 4,7-diphenyl-1,10-phenanthroline-κ2N,N′)-bis(2,4-di(fluorine)-1-phenylpyridine-κ2C,N)-iridium(III) hexafluorophosphate–dichloromethane (1/1), C47H30Cl2F10IrN4P
  25. Crystal structure of (4-(1-phenyl-1H-benzo[d]imidazol-2-yl)phenyl)boronic acid, C19H15BN2O2
  26. The crystal structure of (E)-(2-((pyridin-2-ylmethylene)amino)phenyl)arsonic acid, C12H11AsN2O3
  27. The crystal structure of N(benzyl(phenyl)carbomothioyl)benzamide, C21H18N2OS
  28. The crystal structure of bis(2-picolinium) hexachlorostannate dichloromethane monosolvate, C13H18Cl8N2Sn
  29. Crystal structure of poly[tetraaqua-bis(μ4-3–1-(carboxylatomethyl)-1H-1,2,4-triazole-3-carboxylato)-κ4O:O′,O″,N)zinc(II)], C5H7N3O6Zn
  30. The crystal structure of the co-crystal isonicotinamide – 2-(nitrophenyl)methanol (1/1), C6H6N2O·C7H7NO3
  31. The crystal structure of 4-(3-carboxy-1-ethyl-6-fluoro-4-oxo-1,4-dihydroquinolin-7-yl)piperazin-1-ium 2-fluorobenzoate hydrate, C23H25F2N3O6
  32. Crystal structure of [diaqua-{1H-benzo[d]imidazol-3-ium-5,6-dicarboxylato-κ2O,O′}magnesium(II)] C18H14MgN4O10
  33. Crystal structure of (3-(dimethoxymethyl)-5-methoxy-1H-indol-1-yl) (2-iodo-5-methoxyphenyl)methanone, C20H20INO5
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  37. Crystal structure of (E)-4-(4-(1H-pyrrol-1-yl)benzylidene)-6,8-dimethoxy-3,4-dihydrobenzo[(b)]oxepin-5(2H)-one, C23H21NO4
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Heruntergeladen am 10.12.2025 von https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2025-0213/html
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