Home Crystal structure of poly{[μ2-(E)-1,4-bis(1H-benzo[d]imidazol-1-yl)but-2-ene-κ2N:N′][μ3–cyclohexane-1,4-dicarboxylato-κ4O,O′:O′′:O′′′]cadmium(II)}, C26H26CdN4O4
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Crystal structure of poly{[μ2-(E)-1,4-bis(1H-benzo[d]imidazol-1-yl)but-2-ene-κ2N:N′][μ3–cyclohexane-1,4-dicarboxylato-κ4O,O′:O′′:O′′′]cadmium(II)}, C26H26CdN4O4

  • Wen-bo Huang EMAIL logo , Yan Yang and Jian Suo
Published/Copyright: March 27, 2018

Abstract

C26H26CdN4O4, monoclinic, P21/c (no. 14), a = 12.1676(8) Å, b = 13.4592(9) Å, c = 15.5782(10) Å, β = 112.1310(10) Å, V = 2363.2(3) Å3, Z = 4, Rgt(F) = 0.0244, wRref(F2) = 0.0584, T = 293(2) K.

CCDC no.: 1828197

A part of the title crystal structure is shown in the figure. 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:Block, colorless
Size:0.24 × 0.22 × 0.18 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:0.97 mm−1
Diffractometer, scan mode:Bruker SMART, φ and ω-scans
θmax, completeness:28.4°, >96% (up to 54° > 99%)
N(hkl)measured, N(hkl)unique, Rint:14811, 5690, 0.021
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 4783
N(param)refined:316
Programs:Bruker programs [1], SHELX [2]
Table 2:

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

AtomxyzUiso*/Ueq
Cd10.438745(11)0.080470(9)0.377390(9)0.02272(5)
N10.33446(15)−0.06435(12)0.31825(12)0.0319(4)
N20.30630(14)−0.22484(12)0.28049(12)0.0302(4)
N30.53332(15)−0.60292(12)0.39735(12)0.0303(4)
N40.53292(15)−0.76377(12)0.43337(12)0.0329(4)
O10.26748(12)0.17888(11)0.29319(9)0.0322(3)
O20.38873(13)0.14797(12)0.22171(10)0.0406(4)
O30.39656(15)0.43578(14)0.00587(11)0.0516(5)
O40.38324(12)0.52239(11)0.12008(10)0.0355(3)
C10.29686(17)0.18803(14)0.22433(13)0.0257(4)
C20.22114(16)0.25431(14)0.14447(13)0.0260(4)
H20.13800.23450.12670.031*
C30.2533(2)0.24742(15)0.05891(14)0.0345(5)
H3A0.23300.18180.03180.041*
H3B0.33830.25600.07750.041*
C40.1889(2)0.32584(15)−0.01435(13)0.0349(5)
H4A0.21640.3216−0.06510.042*
H4B0.10440.3120−0.03890.042*
C50.21009(17)0.43086(14)0.02564(13)0.0271(4)
H50.16010.4759−0.02280.033*
C60.16891(18)0.43760(15)0.10681(15)0.0314(4)
H6A0.18380.50390.13300.038*
H6B0.08420.42530.08490.038*
C70.23457(17)0.36171(14)0.18131(13)0.0277(4)
H7A0.20470.36540.23080.033*
H7B0.31820.37880.20730.033*
C80.33896(16)0.46495(14)0.05222(12)0.0247(4)
C90.38403(18)−0.15050(15)0.31621(15)0.0338(5)
H90.4658−0.15940.33760.041*
C100.19436(17)−0.18424(15)0.25746(13)0.0286(4)
C110.21248(17)−0.08339(14)0.2800(14)0.0278(4)
C120.11589(19)−0.02023(17)0.26475(16)0.0392(5)
H120.12630.04710.27910.047*
C130.0041(2)−0.06201(19)0.2268(2)0.0523(7)
H13−0.0620−0.02180.21550.063*
C14−0.0125(2)−0.1629(2)0.2048(2)0.0534(7)
H14−0.0893−0.18800.17980.064*
C150.08141(19)−0.22599(17)0.21909(16)0.0413(5)
H150.0702−0.29310.20400.050*
C160.3348(2)−0.32839(15)0.26869(15)0.0354(5)
H16A0.4172−0.33280.27510.042*
H16B0.2859−0.35040.20670.042*
C170.3150(2)−0.39570(15)0.33842(15)0.0355(5)
H170.2513−0.38150.35550.043*
C180.3811(2)−0.47340(15)0.37732(15)0.0356(5)
H180.3590−0.51160.41790.043*
C190.4897(2)−0.50418(15)0.36024(15)0.0360(5)
H19A0.4716−0.50400.29400.043*
H19B0.5520−0.45580.38840.043*
C200.46911(18)−0.68368(15)0.40076(14)0.0328(5)
H200.3869−0.68270.38170.039*
C210.65079(18)−0.63290(15)0.43087(13)0.0299(4)
C220.64981(17)−0.73309(15)0.45513(13)0.0296(4)
C230.7566(2)−0.78356(17)0.49773(17)0.0436(6)
H230.7581−0.84950.51600.052*
C240.8594(2)−0.7325(2)0.5118(2)0.0603(8)
H240.9317−0.76480.53980.072*
C250.8588(2)−0.6336(2)0.4855(2)0.0644(8)
H250.9307−0.60190.49630.077*
C260.7550(2)−0.58169(18)0.44399(19)0.0471(6)
H260.7546−0.51590.42570.057*

Source of material

The synthesis was performed under hydrothermal conditions. A mixture of Cd(NO3)2⋅4H2O (0.2 mmol, 0.0616 g), (E)-1,4-bis(1H-benzo[d]imidazol-1-yl)but-2-ene (0.2 mmol, 0.0576 g), cyclohexane-1,4-dicarboxylic acid (0.2 mmol, 0.0344 g) and H2O (12 mL) was heated in a 20 mL stainless steel reactor with a Teflon liner from 298 to 433 K in 6 h and maintained at 433 K for 72 h, after which the mixture was cooled to 298 K. Colorless crystals of the title compound were obtained (yield 67% based on the amount of Cd(NO3)2⋅4H2O).

Experimental details

H atoms were positioned in accord with the chemical needs. The Uiso values of the hydrogen atoms were set to 1.2Ueq(C) and 1.5Ueq(C) respectively.

Discussion

Coordination polymers are a class of materials with unique electronic, optical and catalytic properties [3], [4], [5], [6]. They are unparalleled for their diversified, designable and tailorable structures as well as unique chemical and physical properties [7], [8], [9], [10]. Herein, we present a new cadmium-carboxylate coordination polymer. In the title two-dimensional coordination polymer the Cd atom lies in a general position and displays a slightly distorted octahedral coordination geometry. Three cyclohexane-1,4-dicarboxylate ligands connect two cadmium atoms to form an eight-member ring. The (E)-1,4-bis(1H-benzo[d]imidazol-1-yl)but-2-ene ligands link adjacent metal atoms into polymeric chains parallel to the b axis. The bond lengths and angles are normal. The N-contained neutral ligands and carboxylate ligands result in the formation of a two-dimensional network.

Acknowledgements

This research is funded by Natural Science Foundation of Changchun Normal University in 2015 (contract number: CCNU Natural Science Co-words [2015] No. 005) and Scientific Research Planning Project of the Education Department of Jilin Province in 2016 (contract number: Ji Edu & Sci Co-words [2016] No. 001).

References

Brucker. APEX2, SAINT and SADABS. Brucker AXS Inc., Madison, WI, USA (2009).10.1097/IAE.0b013e3181ad255fSearch in Google Scholar PubMed

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

Lin, R. B.; Liu, S. Y.; Ye, J. W.; Li, X. Y.; Zhang, J. P.: Photoluminescent metal-organic rrameworks for gas sensing. Adv. Sci. 3 (2017) 1500434.10.1002/advs.201500434Search in Google Scholar PubMed PubMed Central

Song, X. Z.; Song, S. Y.; Zhao, S. N.; Hao, Z. M.; Zhu, M.; Meng, X.; Wu, L. L.; Zhang, H. J.: Single-crystal-to-single-crystal transformation of a europium(III) metal-organic framework producing a multi-responsive luminescent sensor. Adv. Funct. Mater. 24 (2014) 4034–4041.10.1002/adfm.201303986Search in Google Scholar

Meng, X.; Wang, H. N.; Song, S. Y.; Zhang, H. J.: Proton-conducting crystalline porous materials. Chem. Soc. Rev. 46 (2017) 464–480.10.1039/C6CS00528DSearch in Google Scholar PubMed

Liu, J. W.; Chen, L. F.; Zhang, J. Y.; Zhang, L.; Su, C. Y.: Applications of metal-organic frameworks in heterogeneous supramolecular catalysis. Chem. Soc. Rev. 43 (2014) 6011–6061.10.1039/C4CS00094CSearch in Google Scholar PubMed

Sun, D. F.; Ma, S. Q.; Ke, Y. X.; Collins, D. J.; Zhou, H. C.: An Interweaving MOF with high hydrogen uptake. J. Am. Chem. Soc. 128 (2006) 3896–3897.10.1021/ja058777lSearch in Google Scholar PubMed

Teng, D.; Han, J.; Meng, Q. H.; Rong, L. C.: Crystal structure of poly[aqua-(μ7-benzene-1,3,5-tricarboxylato)-(μ3-1,2,4-triazol-1-ido)dicobalt(II)], C11H7Co2N3O7. Z. Kristallogr. NCS 232 (2017) 25–26.10.1515/ncrs-2016-0111Search in Google Scholar

An, J.; Rosi, N. L.: Tuning MOF CO2 adsorption properties via cation exchange. J. Am. Chem. Soc. 132 (2010) 5578–5579.10.1021/ja1012992Search in Google Scholar PubMed

Kan, Y. W.; Clearfield, A.: Zirconium phosphate supported MOF nanoplatelets. Inorg. Chem. 55 (2016) 5634–5639.10.1021/acs.inorgchem.6b00710Search in Google Scholar PubMed

Received: 2017-11-13
Accepted: 2018-3-7
Published Online: 2018-3-27
Published in Print: 2018-5-24

©2018 Wen-bo Huang et al., published by De Gruyter, Berlin/Boston

This work is licensed under the Creative Commons Attribution-NonCommercial-NoDerivatives 4.0 License.

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