Startseite Crystal structure of bis[(triaqua-4-iodopyridine-2,6-dicarboxylato-κ 3 N,O,O ″)cobalt(II)] trihydrate, C14H22N2O17I2Co2
Artikel Open Access

Crystal structure of bis[(triaqua-4-iodopyridine-2,6-dicarboxylato-κ 3 N,O,O )cobalt(II)] trihydrate, C14H22N2O17I2Co2

  • Liye Wang ORCID logo EMAIL logo , Xiaofan Zhang und Hongxu Dong
Veröffentlicht/Copyright: 24. Mai 2024

Abstract

C14H22N2O17I2Co2, monoclinic, P21/c (no. 14), a = 7.13476(14) Å, b = 11.1853(2) Å, c = 32.5727(5) Å, β = 93.5815(16)°, Z = 4, V = 2594.38(8) Å3, R gt (F) = 0.0447, wR ref (F 2) = 0.0865, T = 293.0 K.

CCDC no.: 2324122

The molecular structure is shown in the figure. Table 1 contains crystallographic data and Table 2 contains the list of the atoms including atomic coordinates and displacement parameters.

Table 1:

Data collection and handling.

Crystal: Pink block
Size: 0.35 × 0.31 × 0.29 mm
Wavelength: Mo Kα radiation (0.71073 Å)
μ: 3.74 mm−1
Diffractometer, scan mode: SuperNova, ω
θ max, completeness: 29.3°, >99 %
N(hkl)measured, N(hkl)unique, R int: 39,921, 6486, 0.041
Criterion for I obs, N(hkl)gt: I obs > 2σ (I obs), 5547
N(param)refined: 354
Programs: CrysAlisPRO, 1 SHELX, 2 , 3 Olex2 4
Table 2:

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

Atom x y z U iso*/U eq
C1 0.5323 (6) 0.3973 (4) 0.28354 (12) 0.0252 (9)
C2 0.5925 (6) 0.2921 (4) 0.30250 (13) 0.0261 (9)
H2 0.5734 0.2185 0.2896 0.031*
C3 0.6816 (6) 0.3000 (4) 0.34110 (12) 0.0212 (8)
C4 0.6533 (6) 0.5062 (4) 0.34155 (12) 0.0226 (9)
C5 0.5595 (6) 0.5070 (4) 0.30319 (13) 0.0275 (9)
H5 0.5162 0.5778 0.2910 0.033*
C6 0.7548 (6) 0.1954 (4) 0.36675 (12) 0.0229 (9)
C7 0.7068 (6) 0.6157 (4) 0.36753 (13) 0.0237 (9)
C8 0.1070 (6) 1.0428 (4) 0.30697 (12) 0.0225 (9)
C9 0.1068 (6) 0.9211 (4) 0.31575 (13) 0.0239 (9)
H9 0.0549 0.8664 0.2968 0.029*
C10 0.1861 (5) 0.8838 (3) 0.35351 (12) 0.0206 (8)
C11 0.2085 (6) 0.7546 (4) 0.36822 (13) 0.0235 (9)
C13 0.1848 (6) 1.1238 (4) 0.33582 (13) 0.0244 (9)
H13 0.1859 1.2054 0.3303 0.029*
C14 0.2598 (5) 1.0791 (3) 0.37259 (12) 0.0201 (8)
C15 0.3574 (6) 1.1529 (4) 0.40736 (12) 0.0213 (8)
Co1 0.87447 (8) 0.41166 (5) 0.41296 (2) 0.02186 (13)
Co2 0.40550 (8) 0.89978 (5) 0.43297 (2) 0.02102 (13)
I1 0.41711 (5) 0.38489 (4) 0.22332 (2) 0.04542 (11)
I2 0.00552 (5) 1.10389 (3) 0.24904 (2) 0.03705 (9)
N1 0.7115 (5) 0.4050 (3) 0.35935 (10) 0.0208 (7)
N2 0.2590 (5) 0.9629 (3) 0.38102 (10) 0.0199 (7)
O1 0.7909 (5) 0.5922 (3) 0.40215 (9) 0.0302 (7)
O2 0.6670 (5) 0.7147 (3) 0.35341 (10) 0.0378 (8)
O3 0.8540 (4) 0.2243 (2) 0.39910 (9) 0.0275 (7)
O4 0.7118 (5) 0.0935 (3) 0.35541 (9) 0.0337 (7)
O5 1.1097 (4) 0.4409 (3) 0.37623 (10) 0.0348 (8)
H5A 1.2092 0.4106 0.3876 0.052*
H5B 1.1355 0.5150 0.3752 0.052*
O6 0.6367 (4) 0.3888 (3) 0.45149 (9) 0.0306 (7)
H6A 0.6730 0.3636 0.4753 0.046*
H6B 0.5653 0.3330 0.4421 0.046*
O7 1.0523 (5) 0.4171 (3) 0.46256 (10) 0.0388 (9)
H7A 1.1463 0.4620 0.4628 0.058*
H7B 1.0509 0.3775 0.4853 0.058*
O8 0.4228 (4) 1.0922 (3) 0.43799 (9) 0.0279 (7)
O9 0.3715 (4) 1.2623 (3) 0.40364 (10) 0.0298 (7)
O10 0.2892 (4) 0.7431 (3) 0.40434 (9) 0.0291 (7)
O11 0.1525 (5) 0.6725 (3) 0.34523 (9) 0.0321 (7)
O12 0.6555 (4) 0.8998 (3) 0.40104 (9) 0.0254 (6)
H12A 0.6655 0.8389 0.3857 0.038*
H12B 0.5955 0.9601 0.3912 0.038*
O13 0.1789 (4) 0.9026 (3) 0.47142 (9) 0.0303 (7)
H13A 0.2184 0.9118 0.4964 0.045*
H13B 0.0946 0.9525 0.4633 0.045*
O14 0.5660 (4) 0.8350 (3) 0.48207 (9) 0.0359 (8)
H14A 0.6658 0.8042 0.4738 0.054*
H14B 0.5573 0.8492 0.5075 0.054*
O15 −0.1093 (5) 1.0432 (3) 0.45089 (9) 0.0325 (7)
H15A −0.1030 1.1019 0.4345 0.049*
H15B −0.1828 0.9947 0.4378 0.049*
O16 0.3562 (5) 0.5665 (3) 0.46071 (10) 0.0337 (7)
H16A 0.3092 0.6231 0.4460 0.051*
H16B 0.4494 0.5191 0.4629 0.051*
O17 0.9012 (5) 0.7221 (3) 0.46907 (9) 0.0295 (7)
H17A 0.8645 0.6877 0.4467 0.044*
H17B 0.9933 0.7681 0.4651 0.044*

1 Source of material

The reagents were purchased from commercial sources and used without further purification. The title compound was prepared under the hydrothermal conditions. A mixture of Co(NO3)2·6H2O (29.1 mg, 0.1 mmol), 4-iodopyridine-2,6-dicarboxylic acid (29.2 mg, 0.1 mmol) and 6 mL distilled water was sealed in a 23 mL teflon-lined autoclave, which was kept under autogenous pressure at 353 K for 72 h. After slowly cooling to room temperature at a rate of 5 K h−1, pale yellow block crystals suitable for X-ray diffraction were collected by filtration and washed with ethanol.

2 Experimental details

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

3 Comment

In recent years, metal compounds constructed from different organic ligands and metal centers have been drawn much attentions owing to their potential multifield applications in the fields of molecular adsorption, magnetism, catalysis, chemical sensing, optoelectronics and luminescence device. 5 7 Up to now, it is still a long term challenge to prepare such compounds. Noted, rational design of suitable organic ligands and proper choice of metal centers are the main keys to construct and tune of the resulting compounds. 8 , 9 Furthermore, other non-covalent interactions such as hydrogen-bonding and ππ stacking often affect the final results. Recent plentiful research has been focused on using bridging pyridine carboxylic acid and their derivatives to construct metal compounds. These ligands containing carboxylate oxygen and pyridyl nitrogen atoms can form interesting network structures. 10 , 11 In this work, we report a compound based on 4-iodopyridine-2,6-dicarboxylic acid ligand and central Co(II) centers. From the point of view of structural chemistry, the ligand containing a number of N and O coordination sites is effective for construction of metal compounds. Whereas, the use of the ligand to construct metal compounds has been limited. 12 14

X-ray diffraction analysis has revealed that the compound crystallizes in the monoclinic system with a space group of P21/c. The asymmetric unit consists two Co(II) cations, two deprotonated 4-iodopyridine-2,6-dicarboxylate ligands, six coordinating water molecules and three isolated water molecules. The central Co(1) and Co(2) atoms are both six-coordinated in octahedral geometries generated from two carboxylate oxygen atoms, one pyridine atom and three oxygen atoms from coordinating water molecule. The Co–O bond lengths vary from 1.992(3) to 2.188(3) Å. The bond angles about the Co(II) centers range from 54.85(13)° to 160.41(14)°. These values are matched with the previously reported other Co(II) compounds. 15

In the discrete structure, each 4-iodopyridine-2,6-dicarboxylate ligand coordinates one Co(II) center with a tridentate coordination mode. The vacant positions of Co(II) center are occupied by coordinating water molecules. In addition, there are obviously O–H⋯O hydrogen bonds interactions involving coordinated/isolated water molecules and the carboxylate oxygen atoms. Moreover, there is iodine-based halogen bonds between iodine atoms and the carboxylate oxygen atoms with the distances of 3.169 and 3.295 Å.


Corresponding author: Liye Wang, College of Food and Drug, Luoyang Normal University, Luoyang, Henan 471934, P.R. China, E-mail:

Funding source: Key Scientific and Technological Project of Henan Province Department of China

Award Identifier / Grant number: 232102321121

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

  2. Research funding: This work was supported by the Key Scientific and Technological Project of Henan Province Department of China (no. 232102321121).

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

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Received: 2024-02-22
Accepted: 2024-04-30
Published Online: 2024-05-24
Published in Print: 2024-08-27

© 2024 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 hexaquazinc(II) poly[hexakis(μ2-4-methylbenzenesulfinato-κ2O:O′) dizinc(II)]
  4. The crystal structure of poly[((2-(4,5-dihydro-1H-pyrazol-4-yl)-1,3-dioxoisoindoline-5-carbonyl)oxy)(1-(dimethylamino)ethoxy)zinc[II]], C16H14ZnN4O5
  5. Crystal structure of bis[(triaqua-4-iodopyridine-2,6-dicarboxylato-κ 3 N,O,O )cobalt(II)] trihydrate, C14H22N2O17I2Co2
  6. Crystal structure of bis(methanol-κO)-bis(nitrato-kO)-bis(1-((2-(2-chloro-4-(4-chlorophenoxy)phenyl)-4-methyl-1,3-dioxolan-2-yl)methyl)-1H-1,2,4-triazole-κN)cadmium(II), C40H42O14N8Cl4Cd
  7. Crystal structure of poly[μ2-dichlorido-(μ2-1-[(2,4-dimethyl-1H-triazole-1-yl)methyl]-1H-benzotriazole-κ2N:N′)cadmium(II)], C11H12CdN6Cl2
  8. The crystal structure of (3aS, 4R, 7S, 7aR)-hexahydro-4, 7-methano-1H-isoindole-1, 3-(2H)-dione, C9H11NO2
  9. The crystal structure of N-(acridin-9-yl)-4-chloro-N-(4-chloro-butanoyl) butanamide, C21H20Cl2N2O2
  10. Crystal structure of 3,3′-dimethoxy-4,4′-oxy-di-benzaldehyde, C16H14O5
  11. The crystal structure of tetrakis(μ 2-2-amino-3,5-dibromobenzoate-κ 2 O:O′)-octakis(n-butyl-κ 1 C)-bis(μ 3-oxo)tetratin(II), C60H92Br8N4O10Sn4
  12. Crystal structure of methyl-1-(naphthalen-1-yl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b] indole-3-carboxylate, C23H20N2O2
  13. Crystal structure of tetrapropylammonium bicarbonate–1-(diaminomethylene)thiourea(1/1)
  14. Crystal structure of 6,6′-((1E,1′E)-((2-phenylpyrimidine-4,6-diyl)bis(hydrazin-2-yl-1-ylidene))bis(methaneylylidene))bis(2-methoxyphenol)monohydrate, C26H26N6O5
  15. Crystal structure of bis(N,N,N-trimethylbutanaminium) tetrathiotungstate(VI), (BuMe3N)2[WS4]
  16. The crystal structure of 2,3,9-triphenyl-9-(2-phenylbenzofuran-3-yl)-9H-9λ 5-benzo[4,5][1,2]oxaphospholo[2,3-b][1,2,5]oxadiphosphole 2-oxide, C40H28O4P2
  17. Crystal structure of 1–methyl-3-propyl-4-nitro-1H-pyrazole-5-carboxylic acid, C8H11N3O4
  18. Crystal structure of N-(benzo[d]thiazol-2-yl)-2-chloroacetamide, C9H7ClN2OS
  19. The crystal structure of N-benzyl-2-chloro-N-(p-tolyl) acetamide, C16H16ClNO
  20. Crystal structure of 3,4-dimethoxybenzyl 2-(6-methoxynaphthalen-2-yl)propanoate, C23H24O5
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  22. Crystal structure of poly[(μ3-5-bromoisophthalato-κ4 O,O′ :O″,O‴)-(μ2-1,2-bis(1,2,4-triazole-1-ylmethyl)benzene-κ2 N:N′)cobalt(II)], C20H15BrCoN6O4
  23. The crystal structure of bis(2-(piperidin-1-ium-4-yl)-1Hbenzo[d]imidazol-3-ium) dihydrogen decavanadate, C24H36N6O28V10
  24. Crystal structure of diaqua-bis(1-(3-carboxyphenyl)-5-methyl-4-oxo-1,4-dihydropyridazine3-carboxylato-O,O′)-cobalt(ii)dihydrate, C26H36N4O14Co
  25. Crystal structure of poly[(μ2-5-bromoisophthalato-κ4 O,O :O ,O )-(μ2-1,4-bis(2-methylimidazol-1-ylmethyl)benzene-N:N)cadmium(II)], C24H21BrCdN4O4
  26. The crystal structure of dimethyl 8-(3-methoxy-2-(methoxycarbonyl)-3-oxoprop-1-en-1-yl)-4-methyl-1-(p-tolyl)-1,3a,4,8b-tetrahydro-3H-furo[3,4-b]indole-3,3-dicarboxylate. C28H29NO9
  27. Crystal structure of (3R)-1-(3,5-dimethoxyphenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate chloride, C21H23ClN2O4
  28. Synthesis and crystal structure of 3-(4,5-dihydroisoxazol-3-yl)-2-methyl-4-(methylsulfonyl)benzoic acid, C12H13NO5S
  29. The crystal structure of hexaaquamagnesium(II) bis-3-(1,2,3,4-tetrahydrobenzo[4,5]imidazo[1,2-α]pyridin-1-yl)benzoate, C36H42N4O10Mg
  30. Crystal structure of 4-formyl-2-methoxyphenyl 2-acetoxybenzoate, C17H14O6
  31. Crystal structure of poly[octakis(μ-oxido)-tris(μ-1,1′-[[1,1′-biphenyl]-4,4′-diylbis(methylene)]bis(1H-imidazole))-tetrakis(oxido)-tetra-vanadium-dimanganese(II)dihydrate], C30H29MnN6O7V2
  32. Crystal structure of 4,8a-bis(4-chlorophenyl)-1,5,6-tris(4-fluorobenzyl)-1,4,4a,4b,5,6,8a,8b-octahydrocyclobuta[1,2-b:3,4-c′]dipyridine-3,8-dicarbonitrile, C45H33Cl2F3N4
  33. Crystal structure of benzo[d][1,3]dioxol-5-ylmethyl 2-(6-methoxynaphthalen-2-yl)propanoate, C22H20O5
  34. Crystal structure of N-benzoyl-N-phenylhydroxylaminato-dicarbonylrhodium(I), [Rh(BNA)CO2]
  35. The crystal structure of N-(2-((2-methoxynaphthalen-1-yl)ethynyl)phenyl)-4-methylbenzenesulfonamide, C26H21NO3S
  36. The crystal structure of methyl ((4-aminobenzyl)sulfonyl)-d-prolinate, C13H18N2O4S
  37. The crystal structure of dichlorido-(N-isopropyl-N-(pyridin-2-ylmethyl)propan-2-amine-κ 2 N, N′)palladium(II), C12H20N2PdCl2
  38. Crystal structure of poly[(μ 2-5-hydroxyisophthalato-κ4 O,O′:O″,O‴)-(μ 2-1,4-bis(2-methylimidazolyl)-1-butene-N:N′)nickel(II)], C20H20NiN4O5
  39. The crystal structure of {hexakis(1-methyl-1H-imidazole-κ 1 N)cobalt(II)}(μ 2-oxido)-hexaoxido-dimolybdenum(VI)— 1-methyl-1H-imidazole (1/2), C32H48CoMo2N16O7
  40. Synthesis, crystal structure and nonlinear optical property of 1-((propan-2-ylideneamino)oxy)propan-2-yl-4-methylbenzenesulfonate, C13H19O4NS
  41. The crystal structure of N,N-(ethane-1,1-diyl)dibenzamide, C16H16N2O2
  42. Crystal structure of 1-(4-bromophenyl)-3-(diphenylphosphoryl)-3-hydroxypropan-1-one, C21H18BrO3P
  43. The crystal structure of fac-tricarbonyl(bis(3,5-dimethyl-4H-pyrazole)-κ1 N)-((nitrato)-κ1 O)-rhenium(I)— 3,5-dimethyl-4H-pyrazole(1/1), C18H23N7O6Re
  44. The crystal structure of 4′-chloro-griseofulvin: (2S,6′R)-4′,7-dichloro-4,6-dimethoxy-6′-methyl-3H-spiro[benzofuran-2,1′-cyclohexan]-3′-ene-2′,3-dione, C16H14Cl2O5
  45. Crystal structure of tetraethylammonium bicarbonate–1-(diaminomethylene)thiourea(1/1)
  46. Crystal structure of 1-cyclohexyl-4-p-tolyl-1,4-dihydropyridine-3,5-dicarboxylic acid dimethyl ester, C22H27NO4
  47. The crystal structure of catena-poly(μ2-1,4-bis-(1H-imidazol-1-yl)benzene-copper(I)) dichloridocopper(I), {[CuC12H10N4]+[CuCl2]} n
  48. The crystal structure of propane-1-aminium-2-carbamate, C4H10N2O2
  49. Crystal structure of 5,6,3′,4′,5′-pentamethoxy-flavone dihydrate, C20H24O9
  50. Crystal structure of (E)-N-(2-bromophenyl)-4-(4-(3,5-dimethoxystyryl)phenoxy)pyrimidin-2-amine, C26H22BrN3O3
  51. Crystal structure of methyl (3R)-1-(2-bromo-4-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-3-carboxylate hydrochloride hydrate, C19H19BrClFN2O3
  52. The crystal structure of 1-(2-chlorophenyl)-3-(p-tolyl)urea, C14H13ClN2O
  53. The crystal structure of 1-cyclohexyl-3-(p-tolyl)urea, C14H20N2O
  54. Crystal structure of ((benzyl(hydroxy)-amino)(4-chlorophenyl)methyl)-diphenylphosphine oxide, C26H23ClNO2P
  55. The crystal structure of ethyl 3-(1-methyl-1H-indole-2-carbonyl)-2-phenylquinoline-4-carboxylate, C28H22N2O3
  56. The crystal structure of 1,4-bis(1H-imidazol-3-ium-1-yl)benzene dinitrate, C12H12N4 2+·2(NO3 )
  57. Crystal structure of tris(hexafluoroacetylacetonato-κ2O,O′) bis(triphenylphosphine oxide-κ1O)samarium(III), C51H33F18O8P2Sm
  58. Crystal structure of 1-(4-(dimethylamino)phenyl)-2,3-bis(diphenylphosphoryl)propan-1-one, C35H33NO3P2
  59. Crystal structure of diaqua[bis(μ 2-pyridine 2,6-dicarboxylato) bismuth(III) potassium(I)], C14H10BiKN2O10
  60. Crystal structure of (R)-N, N -dimethyl-[1, 1′-binaphthalene]-2, 2′-diamine, C22H20N2
  61. Crystal structure of 1-phenyl-4-(2-furoyl)-3-furyl-1H-pyrazol-5-ol, C18H12N2O4
  62. Crystal structure of bis(14,34-dimethyl[11,21:23,31-terphenyl]-22-yl)diselane, C40H34Se2
Heruntergeladen am 3.10.2025 von https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2024-0080/html
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