Home Physical Sciences Crystal structure of poly[aqua-μ2-4,4′-bis(pyrid-4-yl)biphenyl-κ2N:N′)-μ4-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-κ4O:O′:O′′:O′′′)manganese(II)], C52H40N2O10Mn2
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Crystal structure of poly[aqua-μ2-4,4′-bis(pyrid-4-yl)biphenyl-κ2N:N′)-μ4-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-κ4O:O′:O′′:O′′′)manganese(II)], C52H40N2O10Mn2

  • Shi-Jun Chen , Shi-Hui Li EMAIL logo , Wei-Hua Wang , Yong-Fu Long , Wen-Lai Zhang , Tao Wang and Yan-Li Xu
Published/Copyright: January 29, 2019

Abstract

C52H40N2O10Mn2, monoclinic, I2/a (no. 15), a = 8.6162(4) Å, b = 11.0217(5) Å, c = 45.266(2) Å, β = 92.828(4)°, V = 4293.5(3) Å3, Z = 4, Rgt(F) = 0.0476, wRref(F2) = 0.0988, T = 293(2) K.

CCDC no.: 1881072

A part of the title crystal structure is shown in the figure (B = 0.5 − x, 0.5 − y, 0.5 − z; C = 1.5 − x, y, 1 − z; D = x, −1 + y, z). Tables 1 and 2 contain details on crystal structure and measurement conditions and a list of the atoms including atomic coordinates and displacement parameters.

Table 1:

Data collection and handling.

Crystal:Colorless block
Size:0.45 × 0.35 × 0.26 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:0.66 mm−1
Diffractometer, scan mode:SuperNova, ω-scans
θmax, completeness:25.5°, >99%
N(hkl)measured, N(hkl)unique, Rint:11721, 3974, 0.048
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 2974
N(param)refined:300
Programs:CrysAlisPRO [1], SHELX [2], OLEX2 [3]
Table 2:

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

AtomxyzUiso*/Ueq
Mn10.35544(4)0.13369(4)0.282625(9)0.01968(14)
N10.4165(3)0.1270(2)0.33493(5)0.0291(6)
O10.1123(2)0.1707(2)0.28738(5)0.0402(6)
H1A0.05450.11370.27930.060*
H1B0.08740.23900.27870.060*
O20.1679(2)0.40299(17)0.26388(4)0.0256(5)
O30.3716(2)0.32517(18)0.28970(4)0.0298(5)
O40.0980(2)0.88168(18)0.27749(4)0.0288(5)
O50.3342(2)0.94278(17)0.29192(4)0.0282(5)
C10.3590(4)0.2021(3)0.35456(7)0.0335(8)
H10.28130.25580.34810.040*
C20.4084(4)0.2049(3)0.38413(7)0.0369(8)
H20.36360.25910.39690.044*
C30.5252(3)0.1267(3)0.39470(6)0.0307(8)
C40.5842(4)0.0488(3)0.37411(7)0.0347(8)
H40.6625−0.00540.37990.042*
C50.5282(3)0.0508(3)0.34509(6)0.0316(8)
H50.5699−0.00340.33190.038*
C60.5873(4)0.1273(3)0.42589(7)0.0365(8)
C70.5761(4)0.2283(3)0.44386(7)0.0475(10)
H70.52570.29730.43650.057*
C80.6388(4)0.2284(3)0.47265(7)0.0527(10)
H80.62900.29760.48420.063*
C90.7155(4)0.1286(3)0.48465(7)0.0449(10)
C100.7261(5)0.0276(3)0.46666(8)0.0582(11)
H100.7771−0.04120.47400.070*
C110.6629(4)0.0268(3)0.43817(7)0.0550(11)
H110.6710−0.04300.42680.066*
C120.3026(3)0.5268(2)0.29955(6)0.0208(6)
C130.2393(3)0.6347(3)0.28854(6)0.0200(6)
H130.17650.63450.27120.024*
C140.2700(3)0.7427(2)0.30347(6)0.0196(6)
C150.3528(3)0.7400(3)0.33064(6)0.0233(7)
H150.37260.81240.34070.028*
C160.4067(3)0.6321(3)0.34317(6)0.0218(7)
C170.3865(3)0.5267(3)0.32662(6)0.0233(7)
H170.42990.45460.33380.028*
C180.4817(3)0.6297(3)0.37360(6)0.0254(7)
C190.4377(4)0.7117(3)0.39493(7)0.0356(8)
H190.36480.77120.38980.043*
C200.5003(4)0.7066(3)0.42368(7)0.0450(9)
H200.46790.76220.43750.054*
C210.6099(4)0.6204(3)0.43217(7)0.0451(9)
C220.6555(4)0.5401(3)0.41094(7)0.0434(9)
H220.73010.48180.41610.052*
C230.5931(3)0.5441(3)0.38215(7)0.0358(8)
H230.62640.48850.36840.043*
C240.2795(3)0.4101(3)0.28281(6)0.0210(6)
C250.2274(3)0.8640(3)0.28984(6)0.0203(6)
C260.6765(5)0.6131(4)0.46368(8)0.0840(16)
H26A0.60620.56920.47550.126*
H26B0.69090.69360.47150.126*
H26C0.77480.57200.46400.126*

Source of material

A mixture of Mn(OAc)2 ⋅ 4H2O (0.024 g, 0.1 mmol), 4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylic acid (0.1 mmol, 0.0256 g), 4,4′-bis(pyrid-4-yl)biphenyl (0.1 mmol, 0.0308 g) and distilled water (10 mL) was heated in a 25 mL stainless steel reactor with a Teflon liner at 423 K for 30 h, followed by slow cooling to room temperature. Colourless crystals of the compound formed.

Experimental details

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

Discussion

The synthetic development of coordination polymers (CPs) continues to attract much attention because of their intriguing structural topologies and potential applications in gas storage, separation, sensing and heterogeneous catalysis [4], [5], [6], [7], [8], [9]. The organic carboxylate ligands have been proven to be good candidates for the construction of CPs [10], [11], [12]. For example, polycarboxylates present versatile coordination modes to construct coordination polymers [13], [14]. Mixed multicarboxylate and nitrogen donor linkers have been widely utilized to construct CPs.

The asymmetric unit of the title structure contains one Mn(II) metal center, one 4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato ligand, and one 4,4′-bis(pyrid-4-yl)biphenyl ligand to construct a 3D-coordination polymer. The manganese atom is six-coordinated by one water ligand, by four oxygen atoms and one nitrogen atom. The Mn-O bond lengths range from 2.1211(18) to 2.1556(19) Å. The bond angles of O-Mn-O are in the range of 81.64(8)° to 173.65(8)°. All moieties are connected by hydrogen bonds d(O(1)⋯O(2)) = 2.822(3) Å, d(O(1)⋯O(4)A) = 3.218(3) Å, d(O(1)⋯O(5)B) = 2.719(3) Å. Symmetry codes: A x, y − 1, z; B x − 1/2, − y + 1, z.

Award Identifier / Grant number: 182102310909

Funding statement: This work was supported by the Institutions of higher learning key scientific research project of Henan Province (18B150015) and the Natural Science Foundation of Henan Province (182102310909)

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Received: 2018-07-17
Accepted: 2018-11-25
Published Online: 2019-01-29
Published in Print: 2019-03-26

©2019 Shi-Jun Chen et al., published by De Gruyter, Berlin/Boston

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

Articles in the same Issue

  1. Cover and Frontmatter
  2. Crystal structure of poly[aqua-μ2-4,4′-bis(pyrid-4-yl)biphenyl-κ2N:N′)-μ4-4′-methyl-[1,1′-biphenyl]-3,5-dicarboxylato-κ4O:O′:O′′:O′′′)manganese(II)], C52H40N2O10Mn2
  3. Crystal structure of bis[2-(((3-aminopropyl)imino)methyl)-4-nitro-phenolato-κ3N,N′,O]nickel(II), C20H24N6NiO6
  4. Synthesis and crystal structure of bis{2-((E)-((4-((E)-1-(methoxyimino)ethyl)phenyl)imino)methyl) phenolato-κ2N,O}cobalt(II) — ethanol (1/1), C34H36CoN4O5
  5. Crystal structure of 1-(4-{2,5-dichloro-3-hydroxy-4-[4-(1-methoxyimino-ethyl)-phenylamino]-6-methyl-phenylamino}-phenyl)-ethanone O-methyl-oxime, C24H22Cl2N4O4
  6. The pseudosymmetric crystal structure of 2,4,6,8,10,12-hexanitrohexaazaisowurtzitane dimethyl carbonate (2/3), C21H30N24O33
  7. Crystal structure of (1,4-diazepane)4CuII2(μ-Cl)10CuI6, C20H48Cl10Cu8N8
  8. Crystal structure of methyl 2,7,7-trimethyl-4-(3-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate, C19H23NO3S
  9. Crystal structure of methyl 2-(4-(pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)acetate, C15H13N3O2
  10. Crystal structure of (1S,3aR,3bR,10aR,10bR,12aR)-8-amino-3a,3b,6,6,10a-pentamethyl-1-((S)-2,6,6-trimethyltetrahydro-2H-pyran-2-yl)-2,3,3a,3b,4,5,5a,6,10,10a,10b,11,12,12a-tetradecahydro-1H-cyclopenta[7,8]phenanthro[2,3-d]thiazol-12-ol – a panaxadiol dervative, C31H50N2O2S
  11. Crystal structure of bis[(((4-fluorophenyl)amino)methyl)triphenylphosphonium] tetrachloridocobaltate(II), C50H44Cl4CoF2N2P2
  12. Crystal structure of 5,4′-dihydroxy-7,3′-dimethoxyflavanone, C17H16O6
  13. Crystal structure of 3-methyl-cyclobis(1-(1,1′-ferrocenylmethyl)-4-butyl-1H-1,2,3-triazole) tetrafluoroborate, C21H25FeN6⋅BF4
  14. Crystal structure of 3-(2-diethylaminoethyl)-2,3-dihydro-2-thioxoquinazolin-4(1H)-one, C14H19N3OS
  15. Crystal structure of 2-(bis(3,5-dimethylphenyl) ((methyldiphenylsilyl)oxy)methyl) pyrrolidine, C34H39NOSi
  16. The crystal structure of 1,4-dinitro-2,3,5,6-tetraacetoxy-piperazine, C12H16N4O12
  17. Crystal structure of rac-3,6-dimethyl-5-(prop-1-en-2-yl)-6-vinyl-1,4,5,6-tetrahydro-2H-indol-2-one, C15H19NO
  18. Crystal structure of (Cu0.51In0.49)tet[Cr1.74In0.26]octSe4 selenospinel, Cu0.51In0.75Cr1.74Se4
  19. Crystal structure of 7-hydroxy-5-methoxy-4,6-dimethylisobenzofuran-1(3H)-one, C11H12O4
  20. Crystal structure of trans-tetrakis(acetonitrile-κN)bis(triphenylphosphine-κP)ruthenium(II) dihexafluorophosphate - dichloroform (1/2), C46H44Cl6F12N4P4Ru
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  22. Crystal structure of diaqua-dichlorido-bis(μ3-6,6′-(hydrazine-1,2-diylidenebis(methanylylidene))bis(2-methoxyphenolato)κ6O,N:N′,O′,O′:O′′)trizinc(II) - ethanol (1/2), C36H44Cl2N4O12Zn3
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  24. The crystal structure of 4-(3-chloro-4-fluorophenylamino)-7-methoxyquinazolin-6-ol, C15H11ClFN3O2
  25. Crystal structure of ethyl (E)-1-(3-ethoxy-3-oxoprop-1-en-1-yl)-2-(4-nitrophenyl)-2,5-dihydro-1H-benzo[b][1,4]diazepine-3-carboxylate, C23H23N3O6
  26. Crystal structure of (E)-2-(4-cyanophenyl)ethenesulfonyl fluoride, C9H6FNO2S
  27. Crystal structure of bis(4-bromo-2-(((3-chloropropyl)imino)methyl)phenolato-κ2N,O)-oxidovanadium(IV), C20H20Br2Cl2N2O3V
  28. The crystal structure of 1,1,1,3,3,3-hexaphenyldistannoxane – 2,2′-bipyridine (1/1), C46H38N2OSn2
  29. Crystal structure of coordination polymer catena-poly[diaqua-(2,6-dichloropyridine-4-carboxyliato-κ2O,O′)-bis(μ2-2,6-dichloropyridine-4-carboxyliato-κ2O:O′)terbium(III), C18H10Cl6N3O8Tb
  30. The crystal structure of 4-((2-(4,5-dihydro-1,5-diphenyl-1H-pyrazol-3-yl)anthracen-10-yl) methyl)morpholine, C34H31N3O
  31. The crystal structure of bis(N,N-dimethylformamide-κO)-tetrakis(9H-xanthene-9-carboxylic-carboxylate-κ2O:O′)dicopper(II) - acetonitrile (1/2), C66H56Cu2N4O14
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  34. The crystal structure of 3-amino-(2,4-dioxopent-3-yl)-4,5-dihydro-1,2,4-triazinium nitrate, C8H13N5O5
  35. Crystal structure of 4,4′,5,5′-tetraphenyl-2,2′-di-p-tolyl-2′H-1,2′-biimidazole, C44H34N4
  36. Halogen bonds in the crystal structure of 2-bromo-1,10-phenanthroline – 1,4-diiodotetrafluorobenzene (2/1), C30H14Br2F4I2N4
  37. Crystal structure of tris(1-phenyl-1,2-propanedione-2-oximato-κ2N,O)cobalt(III), C27H24N3O6Co
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  39. Crystal structure of bis(μ2-1-(4-chlorophenyl)-3-phenyl-4-thenoyl-1H-pyrazol-5-olato-κ3O,O′:O′)-bis-(1-(4-chlorophenyl)-3-phenyl-4-thenoyl-1H-pyrazol-5-olato-κ2O,O)-bis(ethyl acetate-κO)dicadmium(II), C88H64Cl4N8O12S4Cd2
  40. Crystal structure of catena-poly[dichlorido-(μ2-3-(2-pyridyl)-4-(4-pyridyl)-5-(3-pyridyl)-1,2,4-triazole-κ2N:N′)] copper(II), C17H12N6Cl2Cu
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  47. Crystal structure of bis(5-methoxy-2-(((2-oxidoethyl)imino)methyl)phenolate-κ3O,N,O′)manganes(IV), C20H22N2O6Mn
  48. Crystal structure of tetramethylammonium (2-(3-ethoxy-2-oxidobenzylidene)-1-(2-hydroxybenzoyl)hydrazin-1-ido-κ3N,N′,O)cobalt(III), C36H40N5O8Co
  49. Crystal structure of 6-cyclohexyl-6,7-dihydrodibenzo[c,f][1,5]azabismocin-12(5H)-yl nitrate, C20H23O3N2Bi
  50. Crystal structure of (E)-N-((2S,3S,4R,10R,13S, 17S)-17-(1-(dimethylamino) ethyl)-2,4-dihydroxy-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-2-methylbut-2-enamide, C24H48N2O3
  51. Crystal structure of (E)-2-((4-chlorophenyl)(phenyl)methylene)hydrazine-1-carbothioamide, C14H12ClN3S
  52. Crystal structure of 1-benzyl-3-cyano-6-phenyl-1,2-dihydropyridine, C19H16N2
  53. Isolation and crystal structure of 4-((2-(methoxycarbonyl)phenyl)amino)-2-methyl-4-oxobutanoic acid from Delphinium Grandiflorum, C13H15N1O5
  54. Crystal structure of tetraqua-bis(4-(hydroxymethyl)benzoato-κO)nickel(II), C16H22O10Ni
  55. Crystal structure of ajacisine D monohydrate, C30H44N2O9
  56. The crystal structure of (E)-4-(1-(2-aminophenylimino)ethyl)benzene-1,3-diol, C14H14N2O2
  57. Crystal structure of poly[(μ4-(4H-1,2,4-triazol-4-yl)phenyl)acetato-κ4N,N′,O,O′)(formiato-κ1O)cobalt(II)], C11H9CoN3O4
  58. The crystal structure of bis tetrabutylammonium bis(μ3-2,2,2-tri(hydroxymethyl)ethyl-4-((3-methoxy-3-oxopropyl)amino)-4-oxobutanoato)-(μ6-oxido)-hexakis(μ2-oxido)-hexaoxido-hexavanadium(V), C58H112N4O29V6
  59. Crystal structure of (N-benzylpropane-1,3-diamine-κ2N, N′)(2,2′-bipyridine-κ2N,N′)platinum(II) chloride, C20H24Cl2N4Pt
  60. Crystal structure of 5-(5-(4-chlorophenyl)-1-phenyl-1H-pyrazol-3-yl)-N-phenyl-2-amine, C23H16ClN5O
  61. Crystal structure of poly-[(μ2(carboxylatomethyl)((3-nitrophenyl)sulfonyl)amido-κ3N: O:O′)(μ2-4,4′-bipyridine-κ2N:N′)copper(II)], C18H14CuN4O6S
  62. Crystal structure of poly-[(μ2-(carboxylatomethyl)((3-nitrophenyl)sulfonyl)amido-κ3N:O:O′)(μ2-4,4′-bipyridine-κ2N:N′) nickel(II)], C18H14NiN4O6S
  63. Crystal structure of N-((3R,10S,13S,17S)-17-((S)-1-(dimethylamino)ethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-N-methylbenzamide, C31H48N2O
  64. The crystal structure of dichloroido(1,3-bis(2,6-dimethyl-phenyl)-1H-3l4-imidazol-2-yl)(2-methyl-4,5-dihydrooxazol-κN)palladium(IV)-water (1/1), C23H29Cl2N3O2Pd
  65. Crystal structure of catena-poly[dibromido-{μ2-1,5-dimethyl-2-phenyl-4-((pyridin-4-ylmethylene)amino)-1,2-dihydro-3H-pyrazol-3-one-κ2N:O}zinc(II)], C34H32Br4N8O2Zn2
  66. Crystal structure of diaqua-dichlorido-bis(μ2-2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)methyl)phenolato-κ4O:O,N,O′)dicobalt(II), C36H36Cl2N6O6Co2
  67. Crystal structure of catena-poly[diaqua-(μ2-1,2-bis(4-pyridinyl)ethyane-κ2N:N′)-(μ2–pyridazine-4,5-dicarboxylato-κ2O:O′)]dizinc(II) dihydrate, C12H12ZnN3O6
  68. The crystal structure of 2-(4-chloro-2,6-dinitrophenyl)-1-(4-chloro)diazene oxide, C12H6Cl2N4O5
  69. Crystal structure of 2-isopropylthioxanthone, C16H14OS
  70. Crystal structure of methyl 2-(4-(3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)acetate, C19H17N5O2
  71. Crystal structure of 4,4-dimethyl-2-(trifluoromethyl)-4,5-dihydro-1H-imidazole, C6H9F3N2
  72. Crystal structure of N-methylanilinium 5,7-dihydroxy-4-oxo-2-phenyl-4H-chromene-8-sulfonate monohydrate, C22H21NO8S
  73. Crystal structure of methyl 4-acetoxybenzoate, C10H10O4
  74. Crystal structure of catena-poly[(bis(μ-1,1′-[(5-methoxy-2,4,6-trimethyl-1,3-phenylene)bis(methylene)]bis(1H-1,2,4-triazole)-κ2N:N′)-bis(isothiocyanato-κN)manganese(II)], C34H40MnN14O2S2
  75. Crystal structure of N-(2-methylphenyl)(propan-2-yloxy)carbothioamide, C11H15NOS
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