Home Physical Sciences Crystal structure of catena-poly[(μ2-4,4′-bipyridine-κ2N:N′)-tetraqua-cobalt(II)] – (3-(carboxylatomethyl)benzoic acid) – water (1/2/2), C28H34CoN2O14
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Crystal structure of catena-poly[(μ2-4,4′-bipyridine-κ2N:N′)-tetraqua-cobalt(II)] – (3-(carboxylatomethyl)benzoic acid) – water (1/2/2), C28H34CoN2O14

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Zeitschrift für Kristallographie - New Crystal Structures
From the journal Zeitschrift für Kristallographie - New Crystal Structures Volume 230 Issue 4

Abstract

C28H34CoN2O14, monoclinic, P21/c (no. 14), a = 11.4605(7) Å, b = 11.9048(7) Å, c = 11.1383(7) Å, β = 95.313(1)°, V = 1513.1 Å3, Z = 2, Rgt(F) = 0.0264, wRref(F2) = 0.0803, T = 296 K.

CCDC no.:: 1267/4350

Table 1

Data collection and handling.

Crystal:Red blocks, size 0.22×0.23×0.34 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:6.41 cm−1
Diffractometer, scan mode:CCD area detector, φ and ω
2θmax:51°
N(hkl)measured, N(hkl)unique:7844, 2807
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 2
N(param)refined:206
Programs:SHELX [3]
Table 2

Atomic coordinates and displacement parameters (in Å2).

AtomSitexyzUiso
H(3)4e0.70650.48950.12960.085
H(1W)4e0.98701.14140.18110.051
H(2W)4e1.05731.06290.23950.051
H(4W)4e1.02160.82650.14540.054
H(3W)4e0.97510.78190.03990.054
H(6W)4e0.96010.33180.14700.055
H(5W)4e0.85870.31270.20150.055
H(1)4e0.79561.14920.07210.053
H(2)4e0.59791.14840.08460.053
H(4)4e0.58330.8562−0.09100.047
H(5A)4e0.78220.8624−0.09250.046
H(7)4e0.42550.49700.10150.041
H(9)4e0.17990.32510.25740.051
H(10)4e0.32240.21170.35300.054
H(11)4e0.51770.23760.32070.048
H(13A)4e0.22830.56370.07480.045
H(13B)4e0.13650.51730.15850.045

Source of material

CoCl2·6H2O (0.5 mmol, 0.120 g), H2cmb (3-(carboxymethyl)-benzoic acid, 1.0 mmol, 0.180 g), 4,4′-bipy (1.0 mmol, 0.156 g) were dissolved in 20 mL ethanol-H2O (ν:ν = 1:1) and then the pH of the mixture was adjusted with KOH (0.1 mol·L−1) to pH = 6.5. After that, the solution was sealed in a 25 mL Teflon reactor and kept under autogeneous pressure at 403 K for 5 days. After cooling to room temperature at a rate of 279 K·h−1, red block shaped crystals were obtained. Yield: 78 mg (23%, based on Co). Elemental Analysis calcd. for C28H34CoN2O14 (%): C, 49.35; H, 5.03. Found: C, 49.28; H, 4.96.

Table 3

Atomic coordinates and displacement parameters (in Å2).

AtomSitexyzU11U22U33U12U13U23
Co(1)2a1100.0139(2)0.0271(2)0.0259(2)−0.0004(1)0.0017(1)0.0006(1)
N(1)4e0.8102(1)1.0058(1)−0.0093(1)0.0167(6)0.0326(7)0.0347(7)−0.0016(5)0.0020(5)−0.0018(5)
O(1)4e0.1572(1)0.4571(1)−0.1091(1)0.0274(6)0.0587(8)0.0392(7)−0.0093(6)0.0053(5)−0.0029(6)
O(2)4e0.0527(1)0.3647(1)0.0157(1)0.0368(7)0.0423(7)0.0489(7)−0.0139(6)0.0089(5)−0.0064(6)
O(3)4e0.6360(1)0.4824(1)0.1349(2)0.0246(7)0.071(1)0.074(1)−0.0059(6)0.0063(7)0.0230(8)
O(4)4e0.6927(1)0.3215(1)0.2236(2)0.0313(7)0.0564(9)0.093(1)0.0055(6)0.0097(7)0.0096(8)
O(5)4e1.01289(9)1.0764(1)0.1765(1)0.0319(6)0.0397(6)0.0293(6)0.0089(5)−0.0011(5)−0.0036(5)
O(6)4e0.9992(1)0.84166(9)0.0736(1)0.0434(7)0.0304(6)0.0321(6)−0.0049(5)−0.0035(5)0.0030(5)
O(7)4e0.9264(1)0.2948(1)0.1961(1)0.0311(6)0.0407(6)0.0384(6)0.0040(5)0.0021(5)−0.0011(5)
C(1)4e0.7525(1)1.0882(2)0.0401(2)0.0193(8)0.0392(9)0.074(1)−0.0039(7)0.0005(8)−0.0206(9)
C(2)4e0.6327(1)1.0891(2)0.0469(2)0.0180(8)0.0398(9)0.074(1)0.0000(7)0.0037(8)−0.0222(9)
C(3)4e0.5647(1)1.0016(1)−0.0025(1)0.0168(8)0.0328(8)0.0280(8)−0.0011(5)0.0006(6)0.0008(6)
C(4)4e0.6245(1)0.9169(2)−0.0556(2)0.0212(8)0.045(1)0.052(1)−0.0090(7)0.0069(7)−0.0197(8)
C(5)4e0.7448(1)0.9213(2)−0.0568(2)0.0225(8)0.044(1)0.050(1)−0.0036(7)0.0090(7)−0.0176(8)
C(6)4e0.4906(1)0.3702(1)0.2086(2)0.0265(8)0.0405(9)0.0336(8)−0.0054(7)0.0042(6)−0.0091(7)
C(7)4e0.4042(1)0.4392(2)0.1512(2)0.0285(8)0.0413(9)0.0337(8)−0.0068(7)0.0049(6)−0.0053(7)
C(8)4e0.2865(1)0.4225(1)0.1675(2)0.0263(8)0.0426(9)0.0331(8)−0.0049(7)0.0033(6)−0.0135(7)
C(9)4e0.2579(2)0.3368(2)0.2444(2)0.0294(9)0.058(1)0.0406(9)−0.0119(8)0.0101(7)−0.0090(8)
C(10)4e0.3434(2)0.2685(2)0.3018(2)0.045(1)0.050(1)0.042(1)−0.0129(9)0.0101(8)0.0016(8)
C(11)4e0.4603(2)0.2843(2)0.2832(2)0.0381(9)0.0427(9)0.0390(9)−0.0025(8)0.0017(7)−0.0032(8)
C(12)4e0.6168(1)0.3885(2)0.1899(2)0.0268(8)0.045(1)0.0381(9)−0.0033(7)0.0032(7)−0.0087(8)
C(13)4e0.1927(2)0.4957(1)0.1027(2)0.0265(9)0.041(1)0.046(1)−0.0011(7)0.0028(8)−0.0139(7)
C(14)4e0.1290(1)0.4348(1)−0.0047(2)0.0194(7)0.0316(8)0.0417(9)0.0025(6)0.0036(6)−0.0050(7)

Discussion

The investigation of transition metal complexes containing coordinated carboxylate ligands is a continuously interesting subject. Polycarboxylate ligands are excellent polydentate ligands for the interlink of metal centers. The presence of two or more carboxylate groups with different orientations permits the construction of one-, two- or three dimensional frameworks, which can be further reinforced by the presence of intermolecular hydrogen bonds [1]. For instance, a flexible aromatic acid that contains two carboxylic groups is 3-(carboxymethyl)benzoic acid (H2cmb). Surprisingly, its metal complexes are seldom reported [2] and perhaps the proper synthesis conditions are not easy to obtain. In this paper, we describe a CoII compound containing H2cmb {[Co(4,4′-dipy)(H2O)4]·2(Hcmb)·2H2O}n (4,4′-dipy = 4,4′-dipyridine,). The asymmetric unit of the title complex is comprised of one half CoII ion, one half 4,4′-bipy, two H2O ligands, one 3-(carboxylatomethyl)benzoic acid anion (Hcmb−) and one lattice water molecule. In the coordination sphere the doubly charged cobalt complex cation consists of four O and two N atoms. Each CoII ion shows a distorted octahedral coordination polyhedron formed by two nitrogen atoms of two 4,4′-bipy molecules and four water ligands. The bidentate 4,4′-bipy ligands coordinate in a μ2 mode connecting the adjacent CoII ions to form a one dimensional linear chain structure parallel to the a axis (Fig.). The partly deprotonated 3-(carboxylatomethyl)benzoic acid anion (Hcmb−) do not take part in coordination. They are arranged regularly between the chains and are involved in intermolecular O–H⋯O hydrogen bonds with coordinated and uncoordinated water molecules. The chain structure is stabilized and further connected into a three dimensional supramolecular architecture via these hydrogen bonds as well as electrostatic force.

Corresponding author: Jun-Xia Li, College of Chemistry and Chemical Engineering, Luoyang Normal University, e-mail:

Acknowledgments:

This work was supported by the Cultivation Foundation of Luoyang Normal University (No. 10000857).

References

1. Baggio, R.; Garland, M. T.; Perec, M.; Vega, D.: Adduct formation between zinc and cadmium oxydiacetates and imidazol. Crystal structures of [Zn(Him)2(oda)]n and [Cd2(Him)4(oda)2(H2O)]2·6H2O (Him = imidazol, oda = oxydiacetate). Inorg. Chim. Acta 284 (1999) 49–54.Search in Google Scholar

2. Kang, J.-G.; Kim, T.-J.; Kang, H.-J.; Kang, S.-K.: Crystal structures and luminescence properties of [Eu(ODA)·(phen)·4H2O]+, [Tb(ODA)·(phen)·4H2O]+ and [Tb(ODA)3]3− (ODA: oxydiacetate, phen: 1,10-phenanthroline). J. Photochem. Photobiol. A Chem. 174 (2005) 28–37.Search in Google Scholar

3. Sheldrick, G. M.: A short history of SHELX. Acta Crystallogr. A64 (2008) 112–122.10.1107/S0108767307043930Search in Google Scholar PubMed

Received: 2015-5-27
Accepted: 2015-6-26
Published Online: 2015-10-15
Published in Print: 2015-12-1

©2015 Zhong-Xiang Du et al., published by De Gruyter.

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 3.0 License.

Articles in the same Issue

  1. Frontmatter
  2. Crystal structure of bis(ethyltriphenylphos-phonium) tetrabromidozincate(II), C40H40Br4P2Zn
  3. Crystal structure of chlorido-(2-ethoxy-6-(((quinolin-8-yl)methyl)-phenolato-κ3N,N′,O)-copper(II), C18H15ClCuN2O2
  4. Crystal structure of bis(ethyltriphenylphos-phonium) tetrabromidocobaltate(II), C40H40Br4CoP2
  5. Crystal structure of di(pyrrolidin-1-yl)methane-thione, C9H16N2S
  6. Crystal structure of ammonium phenylglyoxylate, C8H9NO3
  7. Crystal structure of 2-hydroxy-2-methyl-2-phenyl acetic acid hemihydrate, C9H11O3.50
  8. Crystal structure of 2-((E)-2-(1H-benzo[d]imidazol-2-yl)vinyl)-1H-benzo[d]imidazolium dichloride dihydrate, C16H18Cl2N4O2
  9. Crystal structure of 1,2-dimethylimidazolium iodide, C5H9IN2
  10. Crystal structure of catena-poly[(μ2-4,4′-bipyridine-κ2N:N′)-tetraqua-cobalt(II)] – (3-(carboxylatomethyl)benzoic acid) – water (1/2/2), C28H34CoN2O14
  11. Crystal structure of bis(2,2′-bipyridine-κ2N,N′)-bis(thiophene-3,4-dicarboxylato-κ2O,O′)-cadmium(II), C32H22CdN4O8S2
  12. Crystal structure of tetraaqua-(4,4′-diamino-1,1′-biphenyl-2,2′-disulfonato-κN)(4,4′-bipyridyl-κN)zinc(II) trihydrate, C22H32N4O13S2Zn
  13. Crystal structure of poly[[[(1,3-dimethyl-2-imidazolidinone-κ1O11) zinc(II)]-μ-1,4-benzenedi-carboxylato-κ4O1,O2:O3,O4]—1,3-dimethyl-2-imidazolidinone (1:1)], [Zn(C5H10N2O)(C8H4O4)]· C5H10N2O, C18H24N4O6Zn
  14. Crystal structure of poly[[(1,3-dimethyl-2-imidazolidinone-κ1O) zinc(II)]-μ-furan-2,5-dicarboxylato-κ4O,O′:O′′,O′′′], [Zn(C5H10N2O)(C6H2O5)], C22H24N4O12Zn2
  15. Crystal structure of catena-poly[(μ2-4,4′-bipyridine-κ2N:N′)-tetraquamanganese(II)] – (3-(carboxylatomethyl)benzoic acid) – water (1/2/2), C28H34MnN2O14
  16. Crystal structure of chlorido-tricarbonyl-bis(2-pyridylmethanone-N,N′)-rhenium(I), C14H8ClN2O4Re
  17. Crystal structure of (2-(benzoyl)phenolato-κ2O,O′)-trans-dichlorido -cis- bis(methoxido) niobium(V), C15H15Cl2NbO4
  18. Crystal structure of potassium diaqua dihydroxy(methylenediphosphonato-κ2-O,O′)cobaltate(III), CH10CoKO10P2
  19. Crystal structure of hexakis(4-(dimethylamino)pyridin-1-ium) decavanadate-water (1:16), C42H98N12O44V10
  20. Crystal structure of 4-diethylaminobenzaldehyde isonicotinoylhydrazone monohydrate, C17H20N4O·H2O, C17H22N4O2
  21. Crystal structure of bis[μ-1-[(2-ethyl-1H-imidazol-1-yl)methyl]-1H-benzotriazole-κ2N:N′]bis[dibromido]dimercury(II), C24H26Br4Hg2N10
  22. Crystal structure of poly{bis-[(4,4′-biphenyl-dicarboxylate-κ2O:O′)-μ-1,1′-oxy-bis-(ethane-2,1-diyl)-bis-(1H-imidazole)-κ2N:N′] zinc(II)}dihydrate, C48H48N8O12Zn2
  23. Crystal structure of sodium poly[(μ4-2,2′,2′′-nitrilotriacetato-κ4O,O′,O′′,N)magnesium(II)] monohydrate
  24. The crystal structure of 1-(2-(2-chloroethoxy)phenyl)ethanone
  25. The crystal structure of tris(μ2-1,3-bis(4,4,4-Trifluoro-3-oxido-1-(oxo)but-2-en-1-yl)phenyl-/κ4O,O′:O′′,O′′′)-bis(1,2-dimethoxyethane-O,O′)-diterbium(III)
  26. Crystal structure of (S)-2-(2,2′-diethoxy-[1,1′-binaphthalen]-6-yl)-4,4,5,5-tetra-methyl-2-imidazoline-1-oxyle, C31H33N2O3
  27. Crystal structure of cis-tetrachloridobis-(pyridine-κN)platinum(IV), C10H10Cl4N2Pt
  28. Crystal structure of catena-poly[aqua-(μ2-5-norbornene-2,3-dicarboxylato-κ3O,O′:O′′)-(1,10-phenanthroline-κ2N,N′)zinc(II)], [Zn(C9H8O4)(C12H8N2)(H2O)]n
https://doi.org/10.1515/ncrs-2014-9082
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Articles in the same Issue

  1. Frontmatter
  2. Crystal structure of bis(ethyltriphenylphos-phonium) tetrabromidozincate(II), C40H40Br4P2Zn
  3. Crystal structure of chlorido-(2-ethoxy-6-(((quinolin-8-yl)methyl)-phenolato-κ3N,N′,O)-copper(II), C18H15ClCuN2O2
  4. Crystal structure of bis(ethyltriphenylphos-phonium) tetrabromidocobaltate(II), C40H40Br4CoP2
  5. Crystal structure of di(pyrrolidin-1-yl)methane-thione, C9H16N2S
  6. Crystal structure of ammonium phenylglyoxylate, C8H9NO3
  7. Crystal structure of 2-hydroxy-2-methyl-2-phenyl acetic acid hemihydrate, C9H11O3.50
  8. Crystal structure of 2-((E)-2-(1H-benzo[d]imidazol-2-yl)vinyl)-1H-benzo[d]imidazolium dichloride dihydrate, C16H18Cl2N4O2
  9. Crystal structure of 1,2-dimethylimidazolium iodide, C5H9IN2
  10. Crystal structure of catena-poly[(μ2-4,4′-bipyridine-κ2N:N′)-tetraqua-cobalt(II)] – (3-(carboxylatomethyl)benzoic acid) – water (1/2/2), C28H34CoN2O14
  11. Crystal structure of bis(2,2′-bipyridine-κ2N,N′)-bis(thiophene-3,4-dicarboxylato-κ2O,O′)-cadmium(II), C32H22CdN4O8S2
  12. Crystal structure of tetraaqua-(4,4′-diamino-1,1′-biphenyl-2,2′-disulfonato-κN)(4,4′-bipyridyl-κN)zinc(II) trihydrate, C22H32N4O13S2Zn
  13. Crystal structure of poly[[[(1,3-dimethyl-2-imidazolidinone-κ1O11) zinc(II)]-μ-1,4-benzenedi-carboxylato-κ4O1,O2:O3,O4]—1,3-dimethyl-2-imidazolidinone (1:1)], [Zn(C5H10N2O)(C8H4O4)]· C5H10N2O, C18H24N4O6Zn
  14. Crystal structure of poly[[(1,3-dimethyl-2-imidazolidinone-κ1O) zinc(II)]-μ-furan-2,5-dicarboxylato-κ4O,O′:O′′,O′′′], [Zn(C5H10N2O)(C6H2O5)], C22H24N4O12Zn2
  15. Crystal structure of catena-poly[(μ2-4,4′-bipyridine-κ2N:N′)-tetraquamanganese(II)] – (3-(carboxylatomethyl)benzoic acid) – water (1/2/2), C28H34MnN2O14
  16. Crystal structure of chlorido-tricarbonyl-bis(2-pyridylmethanone-N,N′)-rhenium(I), C14H8ClN2O4Re
  17. Crystal structure of (2-(benzoyl)phenolato-κ2O,O′)-trans-dichlorido -cis- bis(methoxido) niobium(V), C15H15Cl2NbO4
  18. Crystal structure of potassium diaqua dihydroxy(methylenediphosphonato-κ2-O,O′)cobaltate(III), CH10CoKO10P2
  19. Crystal structure of hexakis(4-(dimethylamino)pyridin-1-ium) decavanadate-water (1:16), C42H98N12O44V10
  20. Crystal structure of 4-diethylaminobenzaldehyde isonicotinoylhydrazone monohydrate, C17H20N4O·H2O, C17H22N4O2
  21. Crystal structure of bis[μ-1-[(2-ethyl-1H-imidazol-1-yl)methyl]-1H-benzotriazole-κ2N:N′]bis[dibromido]dimercury(II), C24H26Br4Hg2N10
  22. Crystal structure of poly{bis-[(4,4′-biphenyl-dicarboxylate-κ2O:O′)-μ-1,1′-oxy-bis-(ethane-2,1-diyl)-bis-(1H-imidazole)-κ2N:N′] zinc(II)}dihydrate, C48H48N8O12Zn2
  23. Crystal structure of sodium poly[(μ4-2,2′,2′′-nitrilotriacetato-κ4O,O′,O′′,N)magnesium(II)] monohydrate
  24. The crystal structure of 1-(2-(2-chloroethoxy)phenyl)ethanone
  25. The crystal structure of tris(μ2-1,3-bis(4,4,4-Trifluoro-3-oxido-1-(oxo)but-2-en-1-yl)phenyl-/κ4O,O′:O′′,O′′′)-bis(1,2-dimethoxyethane-O,O′)-diterbium(III)
  26. Crystal structure of (S)-2-(2,2′-diethoxy-[1,1′-binaphthalen]-6-yl)-4,4,5,5-tetra-methyl-2-imidazoline-1-oxyle, C31H33N2O3
  27. Crystal structure of cis-tetrachloridobis-(pyridine-κN)platinum(IV), C10H10Cl4N2Pt
  28. Crystal structure of catena-poly[aqua-(μ2-5-norbornene-2,3-dicarboxylato-κ3O,O′:O′′)-(1,10-phenanthroline-κ2N,N′)zinc(II)], [Zn(C9H8O4)(C12H8N2)(H2O)]n
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