Startseite Crystal structure of catena-poly[(μ 2-(2-(1H-imidazol-1-ylmethyl)benzyl)-1H-imidazole κ2N:N′)- (μ 2-cyclohexane-1,2-dicarboxylato κ2O,O′)cobalt(II) monohydrate]
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Crystal structure of catena-poly[(μ 2-(2-(1H-imidazol-1-ylmethyl)benzyl)-1H-imidazole κ2N:N′)- (μ 2-cyclohexane-1,2-dicarboxylato κ2O,O′)cobalt(II) monohydrate]

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Veröffentlicht/Copyright: 22. Mai 2025

Abstract

CoC22H26N4O5, monoclinic, P21/n, a = 9.531(3) Å, b = 11.771(4) Å, c = 19.673(6) Å, β = 92.495(6)°, V = 2205.0(12) Å3, Z = 4, R gt(F) = 0.0559 wR ref (F 2) = 0.1253, T = 296(2)K.

CCDC no.: 2447903

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: Red block
Size: 0.22 × 0.20 × 0.20 mm
Wavelength: Mo Kα radiation (0.71073 Å)
μ: 0.82 mm−1
Diffractometer, scan mode: Bruker APEX2, φ and ω scans
θ max, completeness: 28.5°, 100 %
N(hkl)measured, N(hkl)unique, R int: 13573, 5422, 0.059
Criterion for I obs, N(hkl)gt: I obs > 2 σ(I obs), 3,273
N(param)refined: 292
Programs: Bruker, 1 SHELX, 2 , 3 Olex2 4

1 Source of materials

A mixture of CoCl2·6H2O (0.024 g, 0.1 mmol), 1, 2-bis(imidazole-1-ylmethyl)benzene (1, 2-bib) (0.046 g 0.2 mmol), cyclohexane-1,2-dicarboxylic acid (1,2–DCA) (0.018 g, 0.1 mmol) and H2O (10 mL) was stirred for about 30 min. The resulting solution was transferred to a Teflon-lined stainless steel autoclave and heated at 393 K for 3 days. After spontaneous cooling to room temperature, red crystals were obtained in approximately 76 % yield based on the cobalt input. The crystals were collected by vacuum filtration and dried in air.

2 Experimental details

The crystal structure was solved using the Shelxt structure solution program within Olex2 and subsequently refined with the Shelxl refinement package. 2 , 3 , 4

The C-bound H atoms were geometrically placed (C–H = 0.95 Å) and refined as riding with U iso(H) = 1.2U eq(C).

3 Comment

Coordination polymers (CPs) have recently emerged as a promising class of functional materials in inorganic chemistry and materials science, driven by their structural versatility and tunable properties. 5 These crystalline materials may exhibit exceptional potential in gas storage/separation, heterogeneous catalysis, optoelectronic devices, and biomedical applications, with their multifunctional characteristics continuously inspiring technological advancements. 5 , 6 , 7 The strategic selection of organic ligands-particularly nitrogen-donor heterocycles (e.g., terpyridine derivatives) and carboxylate species-has proven crucial for engineering CP architectures. 8 , 9 Heterocyclic ligands provide multiple coordination sites and enhance framework stability through aromatic stacking interactions, while carboxylate groups contribute strong metal-ligand bonding and structural rigidity. Our group has previously developed a series of imidazole-based CPs using (2-(1H-imidazol-1-ylmethyl)benzyl)-1H-imidazole ligands in combination with aromatic carboxylic acids, which exhibited remarkable third-order nonlinear optical responses suitable for photonic applications. 10 , 11 , 12 , 13 , 14 Systematic variation of ligand substituents and metal centers enables precise control over CP topology and functionality, establishing a robust platform for materials customization. In this work, we report the rational design and synthesis of a coordination polymer, complemented by comprehensive structural characterization via single-crystal X-ray diffraction analysis.

The title compound crystallizes in the monoclinic space group P21/n, forming a one-dimensional coordination polymer with chain-like topology. The asymmetric unit contains one Co(II) centre, one 1,2-bis(imidazol-1-ylmethyl)benzene (1,2-bib) ligand, one cyclohexane-1,2-dicarboxylic acid (1,2–DCA) ligand, and one lattice water molecule. Structural analysis reveals a distorted tetrahedral coordination geometry about the Co(II) centre, coordinated by two imidazole nitrogen donors from two independent 1,2-bib ligands and two carboxylate oxygen atoms from distinct 1,2–DCA ligands. The Co–N bond lengths are approximately 2.031(3) and 2.055(3) Å, and the Co–O bond lengths are approximately 1.956(3) and 1.983(2) Å. The observed bond lengths correlate well with literature values for similar Co(II) complexes. 11 Notably, an elongated Co(II) and contact of 2.49 Å, suggests weak axial interaction, potentially contributing to the geometric distortion.

The 1,2-bib ligand adopts a cis-conformation to bridge symmetry-related Co(II) centres, while each carboxylate group of the 1,2–DCA ligand exhibits monodentate coordination. This bonding pattern generates two distinct metallomacrocycles: a 22-membered ring via 1,2-bib bridging (Co⋯Co = 10.19 Å) and a 14-membered ring through 1,2–DCA linkage (Co⋯Co = 5.24 Å). These alternating macrocycles propagate along the crystallographic b-axis, creating the observed 1D polymeric chain. The supramolecular architecture is further stabilized by O–H⋯O hydrogen bonds between lattice water molecules (O1W) and uncoordinated carboxylate oxygens (O2), with d(O⋯O) = 2.82 Å.


Corresponding author: Zhaoxun Lian, School of Science, Kaili University, Kaiyuan Rd, Kaili City 556011, Guizhou Province, People’s Republic of China, E-mail:

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

  2. Research funding: The work was financially supported by high-level talent program of Kaile university (No. BS20240205).

  3. Author contribution: All the authors have acceptedresponsibility for the entire content of this submitted manuscript and approved submission.

References

1. BRUKER SAINT, APEX2 and SADABS; Bruker AXS Inc.: Madison, Wisconsin, USA, 2009.Suche in Google Scholar

2. Sheldrick, G. M. SHELXT – Integrated Space-Group and Crystal-Structure Determination. Acta Crystallogr. 2015, A71, 3–C8; https://doi.org/10.1107/s2053273314026370.Suche in Google Scholar PubMed PubMed Central

3. Sheldrick, G. M. Crystal Structure Refinement with SHELXL. ActaCrystallogr 2015, C71, 3 C8; https://doi.org/10.1107/s2053229614024218.Suche in Google Scholar

4. Dolomanov, O. V.; Bourhis, L. J.; Gildea, R. J.; Howard, J. A. K.; Puschmann, H. OLEX2: a Complete Structure Solution, Refinement and Analysis Program. J. Appl. Cryst. 2009, 42, 339–341; https://doi.org/10.1107/s0021889808042726.Suche in Google Scholar

5. Wychowaniec, J. K.; Saini, H.; Scheibe, B.; Dubal, D. P.; Andreas Schneemann, A.; Jayaramulu, K. Hierarchical Porous Metal Corganic Gels and Derived Materials: from Fundamentals to Potential Applications. Chem. Soc. Rev. 2022, 51, 9068–9126; https://doi.org/10.1039/d2cs00585a.Suche in Google Scholar PubMed

6. Yang, L. F.; Qian, S. H.; Wang, X. B.; Cui, X. L.; Chen, B. L.; Xing, H. B. Energy-Efficient Separation Alternatives: Metal Corganic Frameworks and Membranes for Hydrocarbon Separation. Chem. Soc. Rev. 2020, 49, 5359–5406; https://doi.org/10.1039/c9cs00756c.Suche in Google Scholar PubMed

7. Dhakshinamoorthy, A.; Garcia, H. Metal-Organic Frameworks as Solid Catalysts for the Synthesis of nitrogen-containing Heterocycles. Chem. Soc. Rev. 2014, 43, 5750–5765; https://doi.org/10.1039/c3cs60442j.Suche in Google Scholar PubMed

8. Momeni, B. Z.; Davarzani, N.; Janczak, J.; Ma, N.; Abd-El-Aziz, A. S. Progress in Design and Applications of Supramolecular Assembly of 2,2′:6′,2″-terpyridine-based First Row d-block Elements. Coord. Chem. Rev. 2024, 506, 215619. (70 pages); https://doi.org/10.1016/j.ccr.2023.215619.Suche in Google Scholar

9. Wei, C.; He, Y.; Shi, X.; Song, Z. Terpyridine-Metal Complexes: Applications in Catalysis and Supramolecular Chemistry. Coord. Chem. Rev. 2019, 385, 1–19; https://doi.org/10.1016/j.ccr.2019.01.005.Suche in Google Scholar PubMed PubMed Central

10. Zhao, N.; Deng, Y. E.; Liu, P.; An, C. X.; Wang, T. X.; Lian, Z. X. Three Coordination Polymers Constructed from bis(imidazole-l-yl-methyl) Benzene: Syntheses, Structures, and third-order Nonlinear Optical Properties. Trans. Meta. Chem. 2015, 40, 11–19; https://doi.org/10.1007/s11243-014-9884-z.Suche in Google Scholar

11. Zhao, N.; Deng, Y. E.; Liu, P.; An, C. X.; Wang, T. X.; Lian, Z. X. Syntheses, Structures and third-order Nonlinear Optical Properties of Three Coordination Polymers Based on bis(imidazole-l-yl-methyl)benzene and Aromatic Dicarboxylic Ligands. Polyhedron 2015, 85, 607–614; https://doi.org/10.1016/j.poly.2014.09.021.Suche in Google Scholar

12. Zhao, N.; Liu, P.; An, C. X.; Wang, T. X.; Lian, Z. X. Structures and third-order Nonlinear Optical Properties of Two cobalt(II) Coordination Polymers Constructed from bis(imidazole-l-yl-methyl)benzene and Aromatic Dicarboxylic Ligands. Inorg. Chem. Commun. 2014, 50, 97–100; https://doi.org/10.1016/j.inoche.2014.10.019.Suche in Google Scholar

13. Li, B.-F.; Dong, T.-M.; Xu, X.-T.; Gu, Y.; Gong, L.; Zhou, W.-Y.; Zhong, K.-L.. Z. Kristallogr. N. Cryst. Struct. 2020, 235, 667; https://doi.org/10.1515/ncrs-2019-0892.Suche in Google Scholar

14. Liu, R.-Q.; Zhao, N.; Yang, F.-X.; Wang, A.-R.; Liu, P.; An, C.-X.; Lian, Z.-X.. Polyhedron 2016, 111, 16; https://doi.org/10.1016/j.poly.2016.03.015.Suche in Google Scholar

Received: 2025-03-02
Accepted: 2025-04-30
Published Online: 2025-05-22
Published in Print: 2025-08-26

© 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. Hydrothermal synthesis, crystal structure of [K3:N1:N2:N4-3-(pyridin-2-yl)-1,2,4-triazole] binuclear Ni(II) complex[Ni2(C7H5N4)2(C7H4ClO2)2]
  4. The crystal structure of di(thiocyanato-κ1N)-bis(methanol)-di(1,3-bis((pyridin-4-ylthio)methyl)benzene)-iron(II), C40H40FeN6O2S6
  5. Crystal structure of poly[(μ 3-3,3″,5,5″-tetrafluoro-(1,1′:4′,1″-terphenyl)-4,4″-dicarboxylate-κ 3 O,O:O″)-(μ 4-3,3″,5,5″-tetrafluoro-(1,1′:4′,1″-terphenyl)-4,4″-dicarboxylate-κ 4 O,O,O,O‴)-dicadmium(II)]dimethylformamide solvate, C47H30Cd2F8N3O12
  6. The crystal structure of a 3d-4f complex based on 2-(benzo[d]thiazol-2-yl)-6-methoxyphenol C31H27N4O13S2CoEr
  7. Crystal structure of poly[(μ 2-1,4-bis(imidazol-1-yl)benzene-k 2 N:N′)(μ 4-biphenyl-3,3′,5,5′-tetracarboxylic-k 4 O,O,O,O)dizinc(II)] dihydrate, C40H28Zn2N8O9
  8. The crystal structure of 4-(bis(2-chloroethyl)amino)-2-hydroxybenzaldehyde, C11H13Cl2NO2
  9. Synthesis and crystal structure of-(10S,13S,16R,Z) −17-ethylidene-16-hydroxy-10,13-dimethylhexadecahydro-3 H-cyclopenta[α]phenanthren-3-one, C21H32O2
  10. The crystal structure of catena-((μ 2-4,4′-bipyridine-κ 2 N:N′)-bis(4-fluorobenzoato-κ1O)-copper(II)), C24H16F2N2O4Cu
  11. Crystal structure of catena-poly[(ethylenediamine-κ2 N,N′)-μ-tetraoxomolybdato(VI) zinc(II)], C2H8MoN2O4Zn
  12. The crystal structure of 4-chloro-1H-pyrazole-3-carboxylic acid, C4H3ClN2O2
  13. The crystal structure of bepotastine besilate, C27H31ClN2O6S
  14. The crystal structure of (η 6-p-cymene)benzyldiphenylphosphine-diiodido-ruthenium(II) dichloromethane solvate
  15. The crystal structure of poly[(μ 2-1-(1-imidazolyl)-4- (imidazol-1′-yl-methyl)benzene κ 2 N:N′)-(μ 2-3-nitrobenzene -1,2-dicarboxylato-k4,O,O′:O′′,O′′′]zinc(II)-κ 2, C21H15N5O6Zn
  16. The crystal structure of (2R,4S)-5-([1,1′-biphenyl]-4-yl)-4-((tert-butoxycarbonyl)amino)-2-methyl pentanoic acid, C23H29NO4
  17. The crystal strucure of [2,2′-{1,2-phenylenebis [(azanylylidene)methanylylidene]}bis(4-fluorophenolato)-κ4 N,N′,O,O′] nickel(II) N, N-dimethylformamide solvate, C23H19F2N3NiO3
  18. The structure of (E)-6-(cyclopropylmethyl)-11-(2,2-difluoropropylidene)-2-methyl-6, 11-dihydrodibenzo[c,f][1,2]thiazepine 5,5-dioxide, C21H21F2NO2S
  19. Crystal structure of catena-poly[(μ 2-(2-(1H-imidazol-1-ylmethyl)benzyl)-1H-imidazole κ2N:N′)- (μ 2-cyclohexane-1,2-dicarboxylato κ2O,O′)cobalt(II) monohydrate]
  20. The crystal structure of 3,5,7-trinitro-1,3,5,7-oxatriazocane
  21. Crystal structure of poly[(μ2-nitrato-κ3 O,O′:O′′)(μ2-1-[(2-propyl-1H-benzimidazole-1-yl)methyl]-1H-benzotriazole-k2 N:N′)silver(I)], C17H17AgN6O3
  22. The crystal structure of (5-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-sulfanylidene-1,3,4-oxadiazol-3(2H)-yl)(3-methylphenyl)methanone, C18H14N2O4S
  23. The crystal structure of diaqua-bis[5-(4-methylphenyl)-1H-pyrazole-3-carboxylato-κ2N,O]-cobalt(II), C11H11Co0.5N2O3
  24. Crystal structure of 2-(6-methoxynaphthalen-2-yl)-N-(4-morpholinophenyl)propanamide, C24H26N2O3
  25. The crystal structure of sodium methylsulfonate
  26. Crystal structure of catena-poly[bis(isothiocyanate κ 1 N)-(μ 2-3,3ʹ-methylenebis(1-methyl-1,3-dihydro-2H-imidazole-2-thione)-κ 2 S:S′)-cobalt(II)], C11H12CoN6S4
  27. The crystal structure of {hexakis(1-methyl-1H-imidazole-κ 1N)nickel(II)} (μ 2-oxo)-hexaoxido-di-molybdenum(VI)─1-methyl-1H-imidazole (1/2), C32H48NiMo2N16O7
  28. 6-(Diphenylphosphoryl)-3,3′,6′-tris(10H-phenoxazin-10-yl)-[1,1′-biphenyl]-2,2′-dicarbonitrile, C62H38N5O4P
  29. The crystal structure of R-2′-amino-N-methyl-N-(1-phenylethyl)-[1,1′-biphenyl]-4-carboxamide, C22H22N2O
  30. The crystal structure of bis{tetrakis(n-butyl)(μ-hydroxy)(2,3,5,6-tetrafluorobenzoate) (μ 3 -oxo)ditin(IV)}
  31. Crystal structure of catena-poly[aqua-(μ 2(3,4-dimethylthieno[2,3-b]thiophene-2,5-dicarboxylato-κ 2 O:O′)-(3,6-bis(4′-pyridyl)-1,2,4,5-tetrazine-κ 1 N)zinc(II)], C22H16N6O5S2Zn
  32. The crystal structure of 3-bromo-5-cyano–N-(5-(cyanomethyl)quinolin-8-yl)pentanamide, C19H15BrN4O
  33. The crystal structure of bis(tetramethylammonium) (di-μ2-aqua)hexaaqua-dibarium(II)) decavanadate
  34. The crystal structure of catena-poly(bis(μ 2-chlorido)- (μ 2-4′-(pyridin-4-yl)-2,2′:6′,2″-terpyridine–N′, N″, N‴:N″″) -chlorido-dicopper(I,II)) monohydrate, C20H16N4OCl3Cu2
  35. Crystal structure of spiropachysine, C31H46N2O
  36. Crystal structure of poly[aqua-(μ 2-3-bromoisonicotinato-κ 2 N: O)-(μ 2-3-bromoisonicotinato-κ 3 N: O: O′)-(μ 3-3-bromoisonicotinato-κ 3 N: O: O′)-(μ 2-nitrite-κ 3 O: O′: O″)dicadmium(II) monohydrate], C19H12Br3Cd2N3O9
  37. The crystal structure of 2-acetylpyridine-ortho-fluoro-phenylhydrazone, C14H12FN3O
  38. The crystal structure of poly(triaqua-(m 2-2,2′-bipyridine-4,4′-dicarboxylato-K 2 O:O′)-bis(m 2-2-2′-bipyridine-4,4′-dicarboxylato-K 4 O,O′:O″:O‴)dierbium(III)) hydrate, C36H26Er2N6O16
  39. The crystal structure of 1,1′-(phenazine-5,10-diyl)bis(heptan-1-one), C26H34N2O2
  40. The crystal structure of (4-([2,2′:6′,2″-terpyridin]-4′-yl)phenyl)boronic acid, C21H16BN3O2
  41. Crystal structure of 6-hydroxy-5H-pyrrolo[3,4-b]pyrazine-5,7(6H)-dione, C6H3N3O3
  42. Crystal structure of N′-((1-hydroxycyclohexyl)(phenyl)methyl)-2-methoxybenzohydrazide ethanol solvate, C23H30N2O4
  43. Crystal structure of pyridinium tetrakis[1,1,1-trifluoro-2,4-pentadionato-K2 O,O′]lutetium(III) C20F12H16LuO8C5H6N
  44. Crystal structure of dichlorido–tetrakis{3-((1H-1,2,4-triazol-1-yl)methyl)-1-(4-chlorophenyl)-4,4-dimethylpentan-3-ol-k 1N}cobalt(II), C64H88O4N12Cl6Co
  45. The crystal structure of tetrakis(4-allyl-2-methoxyphenyl nicotinato-k 1 N)bis(thiocyanato-k 1 N)cobalt(II)
  46. The crystal structure of methyl 4-(3,4-dichlorophenyl)-2,7,7-trimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C20H21Cl2NO3
  47. The crystal structure of (E)–N-(4-chlorobenzylidene)(4-chlorophenyl)methanamine, C14H11Cl2N
  48. Crystal structure of (E)-4-(4-ethylbenzylidene)-6,8-dimethoxy-3,4-dihydrobenzo[b]oxepin-5(2H)-one, C21H22O4
  49. Crystal structure of 4-bromo-3-nitro-1H-pyrazole-5-carboxylic acid dimethyl sulfoxide monosolvate, C4H2N3O4⋅C2H6OS
  50. Crystal structure of-(1S,4aR,5S)-5,6,7-trihydroxy-8-isopropyl-1-methyl-1,2,3,4,5,10,11,11a-octahydro-4a,1-(epoxymethano)dibenzo[a,d][7]annulen-13-one C20H26O5
  51. Crystal structure of 7,9-dimethoxy-2-methyl-4-propylbenzo[f]isoquinolin-5-yl 4-bromobenzoate, C26H24BrNO4
  52. Crystal structure of bis(N,N,N-trimethylbutanaminium)tridecathiotrimolybdate(2−), (BuMe3N)2[Mo3S13]
  53. Crystal structure of N-(adamantan-1-yl)-4-methylpiperazine-1-carbothioamide, C16H27N3S
  54. Crystal structure of poly[(μ 2-2,2′-[1,4-phenylenebis(methylenesulfanediyl)]dibenzoato-κ 4 O,O′:O″,O‴)-(μ 2-1,1′-([1,1′-biphenyl]-4,4′-diyl)bis(1H-benzimidazole)-κ 2 N:N′)cadmium(II)]dimethylformamide solvate, C51H41N5O5S2Cd
  55. The crystal structure of 2-benzoyl-3′,4′,5′,6′-tetrahydrospiro[isoindoline-1,2′-pyran]-3-one, C19H17NO3
  56. The crystal structure of 1-(4-cyanobenzyl)-4-phenyl-1,4-dihydropyridine-3-carbonitrile, C20H15N3
  57. Crystal structure of (1,3-dioxolan-2-ylmethyl)triphenylphosphonium bromide, C22H22BrO2P
  58. Crystal structure of [(2,4-dichlorobenzyl)triphenylphosphonium] tetrachloridomanganese(II)
  59. The crystal structure of 2-(2-hydroxy-4-n-octyloxyphenyl)-4,6-bis(2,4-dimethylphenyl)-1,3,5-triazine, C33H39N3O2
  60. Crystal structure of catena-poly[aqua-(5-carboxypyridine-2-carboxylate-κ 2N,O)(2,5-pyridine-dicarboxylate-κ 4O,O′:N:O″)bismuth(III)], C14H9BiN2O9
  61. Crystal structure of (E)-1-fluoro-4-(2-(phenylsulfonyl)vinyl)benzene, C14H11FO2S
  62. Crystal structure of methyl 2-amino-3-chloro-4-methoxybenzoate, C9H10ClNO3
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