Home Crystal structure of poly[diaqua-(bis(m2-1,4-bis(imidazol-1-ylmethyl)benzene)-κ2N,N′-manganese] dichloride, C28H32MnN8O2Cl2
Article Open Access

Crystal structure of poly[diaqua-(bis(m2-1,4-bis(imidazol-1-ylmethyl)benzene)-κ2N,N′-manganese] dichloride, C28H32MnN8O2Cl2

  • Si-Na Gu , Zhi-Ying Ou , Ting-Ting Wu , Ting-Yu Nie and Yang Liu ORCID logo EMAIL logo
Published/Copyright: September 5, 2023

Abstract

C28H32MnN8O2Cl2, triclinic, P 1 (no. 2), a = 8.987(4) Å, b = 9.061(3) Å, c = 10.706(2) Å, α = 88.65(2)°, β = 66.12(2)°, γ = 89.89(2)°, V = 796.9(5) Å3, Z = 1, R gt (F) = 0.1033, wRref(F2) = 0.2218, T = 293(2) K.

CCDC no.: 2280313

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: Yellow block
Size: 0.32 × 0.28 × 0.21 mm
Wavelength: Mo Kα radiation (0.71073 Å)
μ: 0.62 mm−1
Diffractometer, scan mode: φ and ω
θmax, completeness: 25.0°, 98 %
N(hkl)measured, N(hkl)unique, Rint: 3982, 2745, 0.070
Criterion for Iobs, N(hkl)gt: Iobs > 2 σ(Iobs), 1128
N(param)refined: 194
Programs: Bruker [1], Olex2 [2], SHELX [3]
Table 2:

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

Atom x y z Uiso*/Ueq
Cl1 0.5990 (4) 0.5964 (5) 0.2963 (4) 0.1405 (18)
Mn1 0.0000 0.5000 0.5000 0.0519 (7)
O1W 0.2480 (8) 0.5021 (8) 0.4997 (7) 0.072 (2)
H1WA 0.233 (3) 0.508 (11) 0.579 (2) 0.108*
H1WB 0.302 (4) 0.554 (9) 0.436 (6) 0.108*
N1 0.0357 (9) 0.2699 (8) 0.4355 (7) 0.052 (2)
N2 0.1690 (9) 0.0689 (8) 0.3426 (7) 0.0514 (19)
N3 0.1052 (9) 0.5628 (7) 0.2770 (8) 0.054 (2)
N4 0.1195 (10) 0.6317 (7) 0.0727 (8) 0.055 (2)
C1 0.1675 (12) 0.1909 (10) 0.4113 (9) 0.056 (2)
H1A 0.2495 0.2168 0.4388 0.068*
C2 −0.0469 (11) 0.1936 (11) 0.3756 (9) 0.056 (2)
H2A −0.1462 0.2229 0.3756 0.067*
C3 0.0296 (12) 0.0743 (11) 0.3181 (9) 0.062 (3)
H3A −0.0033 0.0065 0.2703 0.075*
C4 0.2950 (11) −0.0380 (10) 0.2913 (10) 0.064 (3)
H4A 0.2462 −0.1358 0.3071 0.077*
H4B 0.3635 −0.0327 0.3416 0.077*
C5 0.3997 (10) −0.0160 (9) 0.1401 (8) 0.045 (2)
C6 0.4213 (11) 0.1170 (10) 0.0728 (9) 0.056 (2)
H6 0.3684 0.1991 0.1213 0.067*
C7 0.4807 (10) −0.1346 (9) 0.0653 (9) 0.051 (2)
H7 0.4697 −0.2271 0.1077 0.062*
C8 0.0332 (12) 0.6342 (10) 0.2089 (11) 0.061 (3)
H8A −0.0664 0.6812 0.2502 0.073*
C9 0.2460 (11) 0.5129 (10) 0.1765 (10) 0.058 (3)
H9A 0.3242 0.4574 0.1921 0.070*
C10 0.2552 (12) 0.5545 (10) 0.0550 (10) 0.061 (3)
H10A 0.3399 0.5344 −0.0283 0.073*
C11 0.0747 (14) 0.6927 (10) −0.0331 (10) 0.072 (3)
H11A −0.0184 0.6385 −0.0330 0.087*
H11B 0.1642 0.6803 −0.1213 0.087*
C12 0.0335 (13) 0.8529 (10) −0.0143 (10) 0.057 (3)
C13 −0.1243 (13) 0.8991 (12) 0.0606 (10) 0.067 (3)
H13 −0.2070 0.8296 0.1013 0.081*
C14 0.1587 (13) 0.9535 (11) −0.0748 (10) 0.066 (3)
H14 0.2645 0.9218 −0.1243 0.080*

1 Source of materials

The 2,2-dimethylsuccinic acid (0.044 g, 0.3 mmol), 1,4-bis(imidazol-1-ylmethyl)benzene (0.071 g, 0.3 mmol) and MnCl2·2H2O (0.048 g, 0.3 mmol) were dissolved in deionized water (8 mL). The mixture was stirred rigorously and transferred into a 23 mL teflon-lined stainless-steel vessel, which was followed by heating at 140 °C under autogenous pressure for two days. After the mixture was cooled to room temperature, pale yellow block crystals were obtained, washed with ethanol, and dried at room temperature.

2 Experimental details

The H atoms bonded to carbon were generated according to their calculated positions, while the water hydrogen atoms were located from difference Fourier maps and refined isotropically with their Uiso values of 1.5Ueq(C).

3 Comment

For the past few decades, bis(imidazole) molecules have been demonstrated to be effective bridging ligands for the construction of the coordination polymers with intriguing topologies and special functionality in photoluminescence, catalysis, magnetics, and so on [4], [5], [6], [7], [8], [9].

Crystal structure analysis reveals that the asymmetric unit is composed of one central Mn(II) atom, two halves bix ligands, one coordinated water molecule and one chloride anion. The central Mn(II) atom adopts typical six-coordinated octahedral geometry surrounded by four imidazole nitrogen atoms in the equatorial plane and two water oxygen atoms in axial positions. Mn–N bond lengths are between 2.194(7) and 2.242(7) Å, while the Mn–O bond length is 2.228(7) Å, which is in agreement with the reported Mn–N and Mn–O bond lengths [1012]. The neutral 1,4-bis(imidazol-1-ylmethyl)benzene molecule adopts two kinds of trans conformations to interconnect Mn(II) atoms with neighboring distances of 13.862 and 14.277 Å, resulting into a 2D 44-sql layer. The free chloride anions serve as the counter ions for the electropositive layers to be positioned in the lattice enclosed by the bix–Mn(II) host layer, which is sandwiched between the two adjacent layers with the electrostatic attraction and O–H⋯Cl hydrogen interaction, thus reinforcing the supramolecular framework.


Corresponding author: Yang Liu, Key Laboratory of Functional Organometallic Materials, College of Chemistry and Materials Science, Hengyang Normal University, Hengyang City, 421008, Hunan Province, P.R. China, E-mail:

Funding source: Foundation of Key Laboratory of Functional Organometallic Materials, University of Hunan Province 2022HSKFJJ027

Funding source: the Innovation Platform Open Fund Project of Hunan Provincial Education Department of China 20K016

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

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

  3. Research funding: The research was supported by the Foundation of Key Laboratory of Functional Metal-Organic Compounds of Hunan Province (2022HSKFJJ027) and the Innovation Platform Open Fund Project of Hunan Provincial Education Department of China (No. 20K016).

References

1. Bruker. Saint and SADABS; Bruker AXS Inc.: Madison, Wisconsin, USA, 2000.Search in Google Scholar

2. 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. Crystallogr. 2009, 42, 339–341; https://doi.org/10.1107/s0021889808042726.Search in Google Scholar

3. Sheldrick, G. M. Crystal structure refinement with SHELXL. Acta Crystallogr. 2015, C71, 3–4; https://doi.org/10.1107/s2053229614024218.Search in Google Scholar

4. Wang, X., Zhang, Y., Shi, Z., Lu, T., Wang, Q., Li, B. Multifunctional Zr–MOF based on bisimidazole tetracarboxylic acid for pH sensing and photoreduction of Cr (VI). ACS Appl. Mater. Interfaces 2021, 13, 54217–54226; https://doi.org/10.1021/acsami.1c18130.Search in Google Scholar PubMed

5. Deb, S., Sahoo, A., Baitalik, S. Harnessing deep neural networks to analyze multi–channel anion sensing characteristics of a Ru (II)–pyrazolyl–bis (benzimidazole) complex. Eur. J. Inorg. Chem. 2023, 26, e202300009; https://doi.org/10.1002/ejic.202300009.Search in Google Scholar

6. Chang, X. H., Qin, J. H., Han, M. L., Ma, L. F., Wang, L. Y. Exploring the structural diversities and magnetic properties of copper (II) and manganese (II) complexes based on 5-methoxyisophthalate and flexible bis(imidazole) ligands. CrystEngComm 2014, 16, 870–882; https://doi.org/10.1039/c3ce41641k.Search in Google Scholar

7. Biçer, F. A., Arıcı, M., Yeşilel, O. Z. Syntheses, characterization of three new cobalt (II) complexes with 2-phenylsuccinic acid and flexible bis(imidazole) linkers. J. Mol. Struct. 2023, 1284, 135444; https://doi.org/10.1016/j.molstruc.2023.135444.Search in Google Scholar

8. Patra, S., Deka, H., Singh, S. K. Bis-imidazole methane ligated ruthenium (II) complexes: synthesis, characterization, and catalytic activity for hydrogen production from formic acid in water. Inorg. Chem. 2021, 60, 14275–14285; https://doi.org/10.1021/acs.inorgchem.1c01784.Search in Google Scholar PubMed

9. Ivanova, A. D., Korotaev, E. V., Komarov, V. Y., Sukhikh, T. S., Trubina, S. V., Sheludyakova, L. A., Petrov, S. A., Tikhonov, A. Y., Lavrenova, L. G. Spin crossover in iron (II) complexes with new ligand 2, 6-bis (4, 5-dimethyl-1H-imidazole-2-yl) pyridine. Inorg. Chim. Acta 2022, 532, 120746; https://doi.org/10.1016/j.ica.2021.120746.Search in Google Scholar

10. Li, W., Li, C. H., Zhou, S. Q., Li, Y. L., Kuang, Y. F. Synthesis, crystal structure and characterization of a new manganese(II) complex with o-benzoylbenzoic acid. Chin. J. Struct. Chem. 2021, 40, 631–636; https://doi.org/10.1016/j.jcis.2021.04.074.Search in Google Scholar PubMed

11. Youssef, H. M., Khaleel, L. I., Azzam, M. A., El-Reash, G. M. A. Mn (II) and Fe (III) complexes of N′1, N′2-bis ((E)-2- hydroxybenzylidene) oxalohydrazide: synthesis, characterization, DFT studies, biological activity, and ion-flotation separation of Fe (III). J. Mol. Struct. 2023, 1287, 135652; https://doi.org/10.1016/j.molstruc.2023.135652.Search in Google Scholar

12. Liu, Y., Gao, L., Lv, X., Liu, J., Hu, R. Construction of lanthanide/zinc coordination polymers: in situ ligand reactions and templated synthesis. Inorg. Chem. Commun. 2012, 19, 15–18; https://doi.org/10.1016/j.inoche.2012.01.019.Search in Google Scholar

Received: 2023-07-15
Accepted: 2023-08-20
Published Online: 2023-09-05
Published in Print: 2023-12-15

© 2023 the author(s), published by De Gruyter, Berlin/Boston

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

Articles in the same Issue

  1. Frontmatter
  2. New Crystal Structures
  3. Crystal structure of bis(dimethylammonium) poly[(μ4-1,1′-(1,4-phenylenebis(methylene))bis(1H-pyrazole-3,5-dicarboxylato))-κ6O1, N2:O2:O3:O1′,N2′]nickel (II)], C22H26N6NiO8
  4. Hydrothermal synthesis and crystal structure of catena-poly[diaqua-bis(μ2-4-((pyridin-4-ylmethyl)amino)benzoato-κ2N:O)cobalt(II)] 4,4′-bipyridine – water (1/2/2)
  5. Crystal structure of (2S,3S,4S,5S, Z)-2,3,5,6-tetrakis(benzyloxy)-4-hydroxyhexanal oxime, C34H37NO6
  6. The crystal structure of hexakis(3-thiophenecarboxylato-κ2O,O″)-bis(1,10-phenanthroline-κ2N,N′) trimanganese(II), C54H34N4O12S6Mn3
  7. Crystal structure of catena-poly[(μ2-1,4-di(pyridin-4-yl)benzene-κ2N:N′)-(4-bromobenzoate-κ2O:O′)-(μ-2-bromobenzoate-κ2O,O′)nickel(II)] – water (2/1), C30H21Br2N2NiO4.5
  8. The crystal structure of poly[(μ3-1,3-phenylenedioxydiacetate-κ5O,O,O′,O″,O‴)-bis(4′-(4-(1H-imidazol-1-yl)phenyl)-4,2′:6′,4″-terpyridine-kN) cadmium(II)], C58H42CdN10O6
  9. The crystal structure of 5-chloro-6′-methyl-3-(4-(methylsulfonyl)phenyl)-[2,3′-bipyridin]-1′-ium 4-methylbenzenesulfonate
  10. Crystal structure of poly[(μ-benzoato)-(μ-cis-4–hydroxy-D-proline)lithium], C12H14LiNO5
  11. The crystal structure of catena-poly[aqua-(4-iodopyridine-2,6-dicarboxylato-κ3N,O,O)-copper(II)] monohydrate, C7H6NO6ICu
  12. The crystal structure of catena-[diaqua-(4-acetylphenoxyacetato-κ2O,O)-bis(4-acetylphenoxyacetato-κ3O,O:O)-dihydrate-lanthanum(III)]–4,4′-bipyridine (2/1), C35H35NO14La
  13. The crystal structure of catena-poly[(4-iodopyridine-2,6-dicarboxylato-κ4 O,N,O′,O′′)(4-imidazol-1-yl-pyridine-κN)copper(II)], C15H9N4O4ICu
  14. Crystal structure of polybis(μ 4-3,5-dicarboxylatopyrazol-1-yl)-bis(N,N-dimethylformamide)tri-copper(II)–acetonitrile (1/2), C20H22Cu3N8O10
  15. Crystal structure of poly[(μ2-5-hydroxy-isophthalato-κ4O,O′:O″,O‴)-(μ2-1,5-bis(imidazol-2-methyl)pentane-κ2N:N′)cadmium(II)], C21H24CdN4O5
  16. The crystal structure of poly[bis(μ2-1,4-bi(1-imidazolyl)benzene-κ2N:N′)bis(μ2-4,4′-methylenebis(3-hydroxy-2-naphthoate)-κ2O:O′)cobalt(II)], C35H24CoN4O6
  17. The crystal structure of a cobalt-vanadium-oxido hydrate
  18. The crystal structure of catena-poly[(μ 2-2H-1,2,3-triazole-4,5-dicarboxylato-κ 2 O, O′)-(μ 2-1,3-bis((1H-imidazol-1-yl)methyl)benzene-κ 2 N,N′) zinc(II)], C18H15N7O4Zn
  19. Crystal structure of poly[diaqua-(bis(m2-1,4-bis(imidazol-1-ylmethyl)benzene)-κ2N,N′-manganese] dichloride, C28H32MnN8O2Cl2
  20. The crystal structure of 9,10-dimethoxy-5,6-dihydro-[1,3]dioxolo[4,5-g]isoquinolino [3,2-a]isoquinolin-7-ium (E)-3-(4-nitrophenyl)acrylate pentahydrate, C29H34N2O13
  21. Crystal structure of poly[(μ6-ammoniotris(methylene))tris(hydrogen phosphonato)cadmium(II)], C3H10CdNO9P3
  22. Crystal structure of Zn2[(1,1′-(hexane-1,6-diyl)bis(3-(pyridin-3-yl)urea))·(H2O)2·(DMF)2·(SO4)2], C24H50N8O18S2Zn2
  23. The crystal structure of 2-anilino-1,4-naphthoquinone, C10H11NO2
  24. Crystal structure of (E)-2-(2-(4-(diethylamino)styryl)-1-ethyl-1,4-dihydroquinolin-4-yl) malononitrile, C26H26N4
  25. Crystal structure of ethyl 2-((2,6-dichloro-4-(cyanomethyl)phenyl) amino)benzoate, C17H14Cl2N2O2
  26. Synthesis and crystal structure of 2-(3-oxo-3-phenylpropyl)isoindoline-1,3-dione, C17H13NO3
  27. The crystal structure of bis(acetonitrile-κ1N)tetrakis(μ2-2,6-difluorobenzoato-κ2O:O′)rhodium(II) (Rh–Rh), C32H18F8O8N2Rh2
  28. The crystal structure of a new polymorph of 6-hydroxy-2-naphthoic acid, C11H8O3
  29. The crystal structure of [(8-carboxymethoxy-quinoline-2-carboxylate-κ4N,O,O,O)-2,2′-bipyridine-κ2N-copper(II)] tetrahydrate, C22H23N3O9Cu
  30. The crystal structure of ethyl 4-hydroxy-2-(4-methoxyphenyl)-5-oxo-1-(2-oxo-2H-chromen-6-yl)-2,5-dihydro-1H-pyrrole-3-carboxylate, C23H19NO7
  31. Crystal structure of 7-hydroxy-3,4-dihydronaphthalen-1(2H)-one, C10H10O2
  32. Crystal structure of bis(tetrapropylammonium) dodecacarbonyltetratelluridotetraferrate(2-), (Pr4N)2[Fe4Te4(CO)12]
  33. The crystal structure of poly[bis(μ2−3−aminopyridine−4−carboxylatoκ2N:O)Zinc(II)], [Zn(C6H5N2O2)2] n
  34. The crystal structure of methyl 5-nitro-2-(tosyloxy)benzoate, C15H13NO7S
  35. The crystal structure of 18-crown-6 ― tetraaqua-dichlorido-di-μ2-chloridodicopper(II) (2/1), C12H32O10Cu2Cl4
  36. Crystal structure of 6,6a,7,8,9,10-hexahydro-5H-pyrazino [2,3-e]pyrido[1,2-a]pyrazine, C10H14N4
  37. Crystal structure of catena-poly-{diaqua-bis[μ-(((4-chlorophenyl)sulfonyl)glycinato-κO)](μ2-4, 4′-bipyridine-κ2N:N′)cobalt(II)} dihydrate, C26H30Cl2CoN4O12S2
  38. Crystal structure of bis{N′-[1,3-diphenylprop-2-en-1-ylidene]-N-phenylcarbamohydrazonothioato}zinc(II), C44H36N6S2Zn
  39. Crystal structure of tetraaqua-bis(((4-chlorophenyl)sulfonyl)glycinato-κO)cobalt(II) dihydrate, C16H26Cl2CoN2O14S2
  40. Crystal structure of 2-(5-phenyl-1-(quinolin-2-yl)-4,5-dihydro-1H-pyrazol-3-yl)phenol, C24H19N3O
  41. Crystal structure of 2-((2-fluoro-4-(trifluoromethyl)phenyl)(hydroxy)methyl)-7-methoxy-3,4-dihydronaphthalen-1((2H))-one, C19H16F4O3
  42. Crystal structure of 2-amino-4-(2-fluoro-3-(trifluoromethyl)phenyl)-9-methoxy-1,4,5,6-tetrahydrobenzo[h]quinazolin-3-ium chloride, C20H18ClF4N3O
  43. Crystal structure of (2-phenylimino methylquinoline-κ 2 N,N′)-bis(1–phenylpyrazole-κ 2 C,N)-iridium(III) hexafluorophosphate, C34H26F6IrN6P
  44. Crystal structure of (3-hydroxy-4-methoxyphenyl)(pyrrolidin-1-yl)methanone, C12H15NO3
  45. The crystal structure of bis(trimethylsulfoxonium) catena-poly[µ2-hexabromido-indium(III)sodium(I)] C6H18O2S2NaInBr6
  46. Crystal structure of N-cyclopropyl-3-hydroxy-4-methoxybenzamide, C11H13NO3
  47. The crystal structure of (bis(benzimidazol-2-yl-methyl)amine-κ3N,N,N )-(dihydrogen L-malate-κ2O,O )copper(II) perchlorate dihydrate, CuC20H24ClN5O12
  48. Crystal structure of (1E,1′E)-4,4′-(9,9-diethyl-9H-fluorene-2,7-diyl)dibenzaldehyde dioxime, C31H28N2O2
  49. Crystal structure of diethyl 1,9-bis(4-fluorophenyl)-4,6-diphenylhexahydro-3H-2,7,3,5-(epimethanetriyliminomethanetriyl)cyclopenta [b]pyridine-3,7(2H)-dicarboxylate, C40H36F2N2O4
  50. Crystal structure of bis(benzene-1 carboxylato-O 3,5-carboxyl-κ1O)-[(5,5,7,12,12,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane-κ4N,N′,N′′,N′′′)nickel(II) ─ benzene-1,3,5-tricarboxylic acid ─ water (1/2/4), C52H66N4NiO28
  51. Crystal structure of 1,4-dibromo-2,5-bis(2-methoxyethoxy)benzene-1,4-diol, C12H16Br2O4
  52. Crystal structure of dicarbonyl[N,N′-(1,2-dimethyl-1,2-ethanediylidene)bis[2,6-bis(1-methylethyl)benzenamine]-N,N′]nickel(0), C30H40N2NiO2
  53. Crystal structure of 1,4-dibromo-2,5-bis(prop-2-yn-1-yloxy)benzene, C12H8Br2O2
  54. Crystal structure of O-(3-(benzo[d]thiazol-2-yl)naphthalen-2-yl) O-phenyl carbonothioate, C24H15NO2S2
  55. The crystal structure of (E)-4-fluoro-N′-(1-(4-hydroxyphenyl)propylidene)benzohydrazide, C16H15FN2O2
  56. Crystal structure of (E)-1-(benzo[d]thiazol-2-yl)-N-(4,5-dihydropyren-2-yl)methanimine, C24H16N2S
  57. Crystal structure of 3-((4-bromophenyl)thio)-1H-indole, C14H10BrNS
  58. Synthesis and crystal structure of 1-((7-hydroxy-3-(4-hydroxy-3-nitrophenyl)-4-oxo-4H-chromen-8-yl)methyl)piperidin-1-ium-4-carboxylate monohydrate, C22H22N2O9
  59. Synthesis and crystal structure of (3E,5S,10S,13S,14S,17Z)-17-ethylidene-10,13-dimethylhexadecahydro-3H-cyclopenta[α]phenanthren-3-one O-(methacryloyl) oxime, C50H74N2O4
  60. Crystal structure of the hydrogen storage active phase La12Mg46LiMn
  61. The crystal structure of the salt: 4-((1,3-dioxoisoindolin-2-yl)carbamoyl)pyridine-1-ium 2-carboxybenzoate, C14H10N3O3·C8H5O4
  62. Crystal structure of (2-(2-pyridine)-benzimidazole-κ2 N,N′)-bis(1-phenylpyrazole-κ2 C,N)iridium(III) hexafluorophosphate, C30H22F6IrN7P
  63. Crystal structure of dichlorido-bis[2-(2,4-difluorophenyl)pyridine-κ1N]platinum(II), C22H14Cl2F4N2Pt
  64. Crystal structure of (5R,8R,9R,10R,12R,13R,14R, 17S,17Z)-2-((3-fluoropyridin-4-yl)methylene)-12-hydroxy-4,4,8,10,14-pentamethyl-17-((R)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)hexadecahydro-3H-cyclopenta[a]phenanthren-3-one, C36H52FNO3
Downloaded on 13.10.2025 from https://www.degruyterbrill.com/document/doi/10.1515/ncrs-2023-0326/html
Scroll to top button