Home Crystal structure of poly[(μ3-9H-carbazole-3,6-dicarboxylato-κ3O1: O2: O3)(μ2-4-(pyridin-4-yl)pyridine-κ2N1:N1′)zinc(II)], C19H11N2O4Zn
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Crystal structure of poly[(μ3-9H-carbazole-3,6-dicarboxylato-κ3O1: O2: O3)(μ2-4-(pyridin-4-yl)pyridine-κ2N1:N1′)zinc(II)], C19H11N2O4Zn

  • Daguang Wang , Wei Li and Yabin Sun EMAIL logo
Published/Copyright: July 20, 2019

Abstract

C19H11N2O4Zn, monoclinic, C2/c (no. 15), a = 21.645(3) Å, b = 11.4467(18) Å, c = 12.985(2) Å, β = 103.156(3)°, Z = 8, V = 3132.8(8) Å3, Rgt(F) = 0.0436, wRref(F2) = 0.1193, T = 172(2) K.

CCDC no.: 1920641

A part of the title crystal structure is shown in the figure. Hydrogen atoms are omitted for clarity. Tables 1 and 2 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:Colorless block
Size:0.21 × 0.20 × 0.17 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:1.60 mm−1
Diffractometer, scan mode:Bruker SMART, φ and ω-scans
θmax, completeness:28.4°, >98%
N(hkl)measured, N(hkl)unique, Rint:9782, 3828, 0.040
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 2749
N(param)refined:235
Programs:Bruker programs [1], SHELX [2], [3]
Table 2:

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

AtomxyzUiso*/Ueq
Zn10.99913(2)0.19254(3)0.52237(3)0.03582(14)
N10.79678(11)0.6325(2)0.8103(2)0.0397(6)
H10.8128830.6835550.8597580.048*
N21.08788(10)0.2283(2)0.5068(2)0.0351(5)
O10.50506(9)0.55051(19)0.61262(16)0.0393(5)
O20.54306(9)0.36949(19)0.61585(16)0.0405(5)
O30.86997(9)0.26754(18)0.49549(16)0.0362(5)
O40.96532(10)0.3259(2)0.5796(2)0.0506(6)
C10.54997(13)0.4766(3)0.6368(2)0.0327(6)
C20.61470(13)0.5163(2)0.6911(2)0.0315(6)
C30.62368(13)0.5976(3)0.7736(2)0.0361(7)
H30.5878620.6267990.7962520.043*
C40.68313(14)0.6361(3)0.8225(2)0.0374(7)
H40.6893800.6862050.8822840.045*
C50.73398(12)0.5995(2)0.7816(2)0.0313(6)
C60.72624(12)0.5178(2)0.6984(2)0.0275(6)
C70.66595(12)0.4735(2)0.6549(2)0.0295(6)
H70.6600490.4151800.6014810.035*
C80.83034(13)0.5723(2)0.7487(2)0.0342(6)
C90.78858(12)0.4995(2)0.6778(2)0.0284(6)
C100.81262(12)0.4269(2)0.6109(2)0.0289(6)
H100.7849460.3780590.5618900.035*
C110.87683(12)0.4259(2)0.6160(2)0.0318(6)
C120.91695(14)0.5027(3)0.6838(3)0.0445(8)
H120.9608690.5034450.6840240.053*
C130.89470(14)0.5774(3)0.7501(3)0.0468(8)
H130.9222000.6302610.7950690.056*
C140.90480(13)0.3339(2)0.5573(2)0.0324(6)
C151.11196(14)0.1688(3)0.4367(3)0.0503(9)
H151.0844760.1195060.3878710.060*
C161.17461(14)0.1754(3)0.4318(3)0.0474(9)
H161.1895090.1306470.3807720.057*
C171.21593(12)0.2465(2)0.5007(2)0.0296(6)
C181.19075(14)0.3092(3)0.5716(3)0.0486(9)
H181.2170700.3599510.6206380.058*
C191.12712(15)0.2983(3)0.5717(3)0.0484(9)
H191.1107850.3434140.6209310.058*

Source of material

A mixture of 9H-carbazole-3,6-dicarboxylic acid (H2L) (0.2 mmol), 4-(pyridin-4-yl)pyridine (0.2 mmol), Zn(NO3)2⋅6(H2O) (0.2 mol), and H2O (20 mL) was stirred for ten minutes. The mixture was transferred in a 25 mL stainless steel reactor with a Teflon liner and heated from 298 to 453 K in 5 h and a constant temperature was maintained at 453 K for 72 h. After cooling to room temperature, colourless block crystals were collected in 52.6% yield based on Zn.

Experimental details

The Uiso values of the hydrogen atoms of parts of carbon group were set to 1.2Ueq(C). Hydrogen atoms of water molecules were located from electron density map. A Flack parameter of 0.012(15) was obtained.

Discussion

Coordination polymers (CPs) are known for their diversified, designable and tailorable structures as well as unique chemical and physical properties. Over the past three decades, CPs have been paid much attention for their great potential applications in many areas [4], [5], [6], [7]. Recently, considerable attention has been geared towards two-dimensional coordination polymers or MOFs. Compared with three-dimensional CPs, two-dimensional CPs feature outstanding characters with ultrathin thickness, enormous specific surface areas and more accessible active sites, making them auspicious two-dimensional materials [8], [9].

In the title complex, there is one crystallographically independent zinc(II) ion, one L ligand, and one half of 4-(pyridin-4-yl)pyridine. The zinc(II) is four-coordinated by three O atoms from three L ligands, and one N atom from one 4-(pyridin-4-yl)pyridine ligand to form a distorted tetrahedron. The distances at the Zn are: d(Zn1–01) = 1.991(2) Å, d(Zn1–O2) = 1.953(2) Å, d(Zn1–O4) = 1.915(2) Å, and d(Zn1–N2) = 2.019(2) Å, respectively. The Zn(II) coordination angles are in the normal range from 101.43(9)° to 129.12(18)°. Two Zn(II) ions are linked to from a dinuclear building unit (SBU) bridged by two L ligands. These SBUs and ligands are connected to form a (2,6)-connected two-dimensional layer framework with paddle-like topology. These two-dimensional layers are packed together to form three-dimensional framework structures. In addition, similar two-dimensional structures have been reported, for example, [Cu4(dpk 3CH3O)2(N3)6]n and [Co(L)2(SCN)2⋅2(CH3CN)⋅2(dmf)]n [10], [11].

Acknowledgements

This work is supported by the project development plan of science and technology of Jilin Province.

References

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Received: 2019-04-22
Accepted: 2019-06-04
Published Online: 2019-07-20
Published in Print: 2019-09-25

©2019 Daguang Wang et al., published by De Gruyter, Berlin/Boston

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

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  79. Crystal structure of 2-oxo-1-(pyrimidin-5-ylmethyl)-3-(3-(trifluoromethyl)phenyl)-1,2-dihydro-5l4-pyrido[1,2-a]pyrimidin-4-olate, C20H13F3N4O2
  80. Crystal structure of poly[(μ3-9H-carbazole-3,6-dicarboxylato-κ3O1: O2: O3)(μ2-4-(pyridin-4-yl)pyridine-κ2N1:N1′)zinc(II)], C19H11N2O4Zn
  81. Crystal structure of (E)-N′-((1,8-dihydropyren-1-yl)-methylene)picolinohydrazide, C23H15N3O
  82. Crystal structure of catena-poly{[μ2-1,2-bis(diphenylphosphino)ethane]dichloridocadmium(II)}, C26H24CdCl2P2
  83. Crystal structure of the 1:2 co-crystal between N,N′-bis(4-pyridylmethyl)oxalamide and acetic acid as a dihydrate, C14H14N4O2⋅2 C2H4O2⋅2 H2O
  84. Crystal structure of the co-crystal N,N′-bis(3-pyridylmethyl)oxalamide acetic acid (1/2), C14H14N4O2⋅2C2H4O2
  85. Crystal structure of the co-crystal N,N′-bis(4-pyridylmethyl)oxalamide and 2,3,5,6-tetrafluoro-1,4-di-iodobenzene (1/1), C14H14N4O2⋅C6F4I2
  86. Crystal structure of the co-crystal 4-[(4-carboxyphenyl)disulfanyl]benzoic acid–(1E,4E)-1-N,4-N-bis(pyridin-4-ylmethylidene)cyclohexane-1,4-diamine (1/1), C14H10O4S2⋅C18H20N4
  87. Crystal structure of hexacarbonyl-bis(μ2-di-n-propyldithiocarbamato-κ3S,S′:S3S:S:S′)-di-rhenium(I), C20H28N2O6Re2S4
  88. Crystal structure of fac-tricarbonyl-morpholine-κN-(morpholinocarbamodithioato-κ2S,S′)rhenium(I), C12H17N2O5ReS2
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