Home Crystal structure of poly[(μ2-biphenyl-2,2′-dicarboxylato-κ4O,O′:O′′,O′′′)(μ2-4,4′-bipyridine-κ2N:N′)copper(II)], C24H16CuN2O4
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Crystal structure of poly[(μ2-biphenyl-2,2′-dicarboxylato-κ4O,O′:O′′,O′′′)(μ2-4,4′-bipyridine-κ2N:N′)copper(II)], C24H16CuN2O4

  • En-Xiang Liang EMAIL logo , Bin-Hong He , Yi-Xue Xu , Jian-Min Yi and Shao Ren
Published/Copyright: March 16, 2016

Abstract

CuC24H16N2O4, monoclinic, C2/c (no. 15), a = 20.262(7) Å, b = 9.530(3) Å, c = 11.444(3) Å, β = 117.095(5)°, V = 1967.2(11) Å3, Z = 4, Rgt(F) = 0.0271, wRref(F2) = 0.0998, T = 293 K.

CCDC no.:: 1453443

The crystal structure is shown in the figure. Tables 13 contain details of the measurement method and a list of the atoms including atomic coordinates and displacement parameters.

Table 1

Data collection and handling.

Crystal:Blue, block, size 0.10×0.12×0.25 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:11.46 cm−1
Diffractometer, scan mode:CCD area detector, φ and ω scans
2θmax:50.08°
N(hkl)measured, N(hkl)unique:5413, 1752
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 1592
N(param)refined:142
Programs:SHELX [7]
Table 2

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

AtomSitexyzUiso
H(1)8f1.12360.81310.16570.046
H(2)8f1.23070.71820.17690.048
H(4)8f1.17100.8593−0.18680.048
H(5)8f1.06860.9583−0.18450.045
H(8)8f0.80040.6995−0.01050.040
H(9)8f0.75510.56320.10300.045
H(10)8f0.83680.44650.29070.045
H(11)8f0.96280.46960.36490.040
Table 3

Fractional coordinates and atomic displacement parameters (Å2).

AtomSitexyzU11U22U33U12U13U23
Cu(1)4a1.01.00.00.0194(2)0.0268(3)0.0281(3)0.0076(1)0.0159(2)0.0077(1)
C(1)8f1.1336(1)0.8242(2)0.0947(2)0.038(1)0.045(1)0.048(1)0.018(1)0.033(1)0.022(1)
C(2)8f1.1983(1)0.7660(2)0.1016(2)0.029(1)0.043(1)0.056(1)0.018(1)0.027(1)0.026(1)
C(3)8f1.21491(9)0.7785(2)−0.0025(2)0.0192(9)0.0261(9)0.038(1)0.0025(7)0.0151(8)−0.0055(8)
C(4)8f1.1634(1)0.8503(3)−0.1129(2)0.026(1)0.071(2)0.026(1)0.015(1)0.0131(8)−0.0039(9)
C(5)8f1.1013(1)0.9080(2)−0.1113(2)0.023(1)0.062(1)0.026(1)0.0149(9)0.0097(8)0.0011(9)
C(6)8f0.9328(1)0.7798(2)0.0389(2)0.035(1)0.0247(9)0.033(1)0.0098(8)0.0211(9)0.0030(8)
C(7)8f0.9093(1)0.6758(2)0.1118(2)0.028(1)0.0236(9)0.0266(9)0.0024(8)0.0132(8)−0.0015(7)
C(8)8f0.8334(1)0.6557(2)0.0667(2)0.030(1)0.033(1)0.033(1)0.0038(8)0.0091(9)0.0004(8)
C(9)8f0.8060(1)0.5725(2)0.1334(2)0.028(1)0.034(1)0.048(1)−0.0054(9)0.0163(9)−0.0052(9)
C(10)8f0.8547(2)0.5033(2)0.2454(3)0.039(2)0.034(1)0.043(2)−0.0119(8)0.022(1)0.0008(8)
C(11)8f0.9303(2)0.5184(2)0.2904(2)0.034(1)0.030(1)0.029(1)−0.0041(8)0.010(1)0.0042(8)
C(12)8f0.9589(1)0.6057(2)0.2260(2)0.028(1)0.0202(9)0.027(1)−0.0019(7)0.0115(8)−0.0042(7)
N(1)8f1.08545(9)0.8955(2)−0.0101(2)0.0227(8)0.0303(9)0.0390(9)0.0073(7)0.0195(7)0.0051(7)
O(1)8f0.99232(7)0.8504(1)0.1069(1)0.0258(7)0.0360(7)0.0406(8)0.0078(6)0.0210(6)0.0155(6)
O(2)8f0.8930(1)0.8008(2)−0.0799(2)0.071(1)0.0483(9)0.0246(8)−0.0028(9)0.0181(8)0.0040(7)

Source of material

A mixture of Cu(CH3COO)2.H2O (0.1 mmol), biphenyl-2,2′-dicarboxylic acid (0.2 mmol), 4,4′-bipyridine (0.2 mmol), Et3N (0.1 mL), CH3OH (2 mL) and H2O (3 mL) was sealed in a 10 mL Teflon-lined stainless-steel reactor, heated to 373 K for 72 h, and then slowly cooled to room temperature. Blue block crystals suitable for X-ray diffraction analysis were collected by filtration.

Experimental details

All H atoms were placed in idealized positions, refined with distance restraints of C—H = 0.93 Å and refined as riding atoms with Uiso(H) = 1.2 Ueq(C).

Discussion

In recent years, the design and construction of has been investigated not only because metal-organic frameworks of their interesting structures, but also owing to their potential applications in many fields such as gas storage and separation, catalysis, magnetism, sensor, luminescence, and so on [16].

In order to search for new metal complex, the title complex was synthesised and its crystal structure determined. In the title complex, the CuII ion situated on a centre of inversion showing a square coordination geometry. The CuII ion is coordinated by two N atoms from two 4,4′-bipyridine ligands and two O atoms from two biphenyl-2,2′-dicarboxylato ligands. The biphenyl-2,2′-dicarboxyliato and 4,4′-bipyridine ligands bridge the metal atoms, forming a 3D network.


Corresponding author: En-Xiang Liang, College of Chemistry and Chemical Engineering, Hunan Institute of Science and Technology, 414006, Yueyang, Hunan, People's Republic of China, e-mail:

Acknowledgements:

This work was supported by the National Science Foundation of China (NSFC) (2014002, 2015051, 21471053) and the Planned Science and Technology Project of Hunan Province (2014SK3007).

References

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Received: 2016-9-18
Accepted: 2016-2-15
Published Online: 2016-3-16
Published in Print: 2016-6-1

©2016 En-Xiang Liang et al., published by De Gruyter.

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

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  75. Crystal structure of 1,1′-diformyl-4,4′-(6H,12H-5,11-methano-dibenzo[b,f][11,5]diazocine-2,8-diyl)dibenzene, C29H22N2O2
  76. Crystal structure of N′-(adamantan-2-ylidene)pyridine-3-carbohydrazide, C16H19N3O
  77. Crystal structure of 1,1′-(butane-1,4-diyl)bis(5-methyl-1H-pyrazole-3-carbaldehyde), C14H18N4O2
  78. Crystal structure of methyl 8-hydroxy-3-isopropyl-5a,8-dimethyl-2,3,4,5,5a,6,7,8,10a,10b-decahydrocyclohepta[e]indene-3a(1H)-carboxylate, C21H34O3
  79. Crystal structure of 6-oxo-4-propyl-2-(propylthio)-1,6-dihydropyrimidine-5-carbonitrile, C11H15N3OS
  80. Crystal structure of poly[diacetato(μ2-1,4-bis(1H-imidazol-1-yl)benzene-κ2N:N′)nickel(II)], C26H22N8NiO4
  81. Crystal structure of bis(2,4-dibromo-6-{(E)[(4-fluorobenzyl)imino]methyl}phenolato-κ2N,O) copper(II), C28H18Br4F2N2O2Cu
  82. Crystal structure of 1-(adamantan-1-yl)-3-phenylthiourea, C17H22N2S
  83. Crystal structure of 3-(6-(5-amino-1-phenyl-1H-pyrazol-3-yl)pyridin-2-yl)-1-phenyl-1H-pyrazol-5-amine – dioxan (2/1), C25H23N7O
  84. Crystal structure of 5-ethyl-6-[(3-methylphenyl)sulfanyl]pyrimidine-2,4(1H,3H)-dione, C13H14N2O2S
  85. Crystal structure of (((1E,1′E)-(cyclohexane-1,2-diylbis(azanylylidene-κ2N,N′))bis(methanylylidene))bis(2,1-phenylene))bis((2,6-diisopropylphenyl)amide-κ2N′′,N′′′)manganese(II), C44H54N4Mn
  86. Crystal structure of prop-2-en-1-yl 2-oxo-2H-1-benzopyran-3-carboxylate, C13H10O4
  87. Crystal structure of bis(μ2-2-((3-methylphenyl)imino)methylphenolato-κ2N,O:O)hexacarbonyldimanganese(I), C34H24Mn2N2O8
  88. Crystal structure of (Z)-1-(1,5-dimethyl-1H-pyrazol-3-yl)-3-hydroxybut-2-en-1-one C9H12N2O2
  89. Crystal structure of 2,2′-[pentane-1,5-diylbis(oxy)]dibenzaldehyde, C19H20O4
  90. Crystal structure of 2-phenyl-5,6,7,8-tetrahydro-4H-benzo[4,5]thieno[2,3-d][1,3]oxazin-4-one, C16H13NO2S
  91. Crystal structure of (E)-1-(2-chlorophenyl)-N-(4-chlorophenyl)methanimine, C13H9Cl2N
  92. Crystal structure of ethyl 2-amino-5-bromothiazole-4-carboxylate, C6H7BrN2O2S
  93. Crystal structure of 2-benzylisothiouronium tetraphenylborate, C32H31BN2S
  94. Crystal structure of poly[(μ2-biphenyl-2,2′-dicarboxylato-κ4O,O′:O′′,O′′′)(μ2-4,4′-bipyridine-κ2N:N′)copper(II)], C24H16CuN2O4
  95. Crystal structure of (η5-pentamethylcyclopentadienyl)titanium(III)dichloride (THF), C14H23Cl2OTi
  96. Crystal structure of 3-ferrocenylsulfonyl-2-(4-methoxyphenyl)-3H-imidazo[4,5-b]pyridine, C23H19FeN3O3S
  97. Crystal structure of 2-benzoyl-3-(4-fluorophenyl)cyclopropane-1,1-dicarbonitrile, C18H11FN2O
  98. Crystal structure of 1,6-ditosyl-1,6-diazecane, C22H30N2O4S2
  99. Crystal structure of N-phenyl-2-(pyridin-4-ylcarbonyl)hydrazinecarboxamide with Z′ = 4, C13H12N4O2
  100. Crystal structure of N,N-bis(diphenylphosphanyl)cyclohexylamine, C30H31NP2
  101. Crystal structure of 3-(4-hydroxy-3-methoxyphenyl)-N-phenylpropanamide, C16H17NO3
  102. Crystal structure of 6-(2-fluorophenyl)-3-phenyl-[1,2,4]-triazolo[3,4-b][1,3,4]thiadiazole, C15H9FN4S
  103. Crystal structure of catena-poly[aqua(dicyanoazanido-2κN-μ2-dicyanoazanido-1κN:2κN′)(μ2-2-methoxy-6-(((2-((3-methoxy-2-oxidobenzylidene)amino)ethyl)imino)methyl)phenolato-1κ2N,N′,2κ2O,O′,1κ2O′′,O′′′:2κ2O′′,O′′′)cadmium(II)copper(II)], C22H20CdCuN8O5
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