Home Crystal structure of catena-poly[bis(4-(4-carboxyphenoxy)benzoato-κ1O)-μ2-(1,4-bis(1-imidazolyl)benzene-κ2N:N′)cobalt(II)], C40H28N4O10Co
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Crystal structure of catena-poly[bis(4-(4-carboxyphenoxy)benzoato-κ1O)-μ2-(1,4-bis(1-imidazolyl)benzene-κ2N:N′)cobalt(II)], C40H28N4O10Co

  • Yi-Fan Xia , Xiong-Xin Peng , Yu-Fei Zhong , Wei Xiao , Chun-Yan Hu and Hou-Qun Yuan ORCID logo EMAIL logo
Published/Copyright: March 5, 2021

Abstract

C40H28N4O10Co, monoclinic, C2/c (no. 15), a = 29.686(3) Å, b = 6.2315(4) Å, c = 21.0994(15) Å, β = 114.727(8)°, V = 3545.3(5) Å3, Z = 4, Rgt(F) = 0.0386, wRref(F2) = 0.0897, T = 293(2) K.

CCDC no.: 2054400

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:Purple stick
Size:0.20 × 0.10 × 0.10 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:0.55 mm−1
Diffractometer, scan mode:Xcalibur, ω
θmax, completeness:26.0°, >99%
N(hkl)measured, N(hkl)unique, Rint:7898, 3489, 0.021
Criterion for Iobs, N(hkl)gt:Iobs > 2σ(Iobs), 2994
N(param)refined:253
Programs:CrysAlisPRO [1], SHELX [2], [ 3]
Table 2:

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

AtomxyzUiso*/Ueq
Co11.0000000.31747 (5)0.7500000.02879 (12)
O10.94572 (5)0.1108 (2)0.73056 (8)0.0411 (4)
C10.90568 (7)0.2050 (3)0.72175 (10)0.0331 (5)
O20.90511 (5)0.3911 (2)0.74202 (8)0.0471 (4)
C20.85839 (7)0.0875 (3)0.68053 (11)0.0340 (5)
C30.85939 (8)−0.1174 (3)0.65615 (11)0.0418 (5)
H10.889623−0.1853500.6670890.050*
C40.81568 (9)−0.2220 (4)0.61558 (12)0.0501 (6)
H20.816288−0.3602380.5993680.060*
C50.77149 (9)−0.1191 (4)0.59959 (12)0.0497 (6)
C60.76957 (9)0.0833 (4)0.62290 (14)0.0565 (7)
H30.7392260.1508010.6114540.068*
C70.81320 (8)0.1863 (4)0.66363 (13)0.0481 (6)
H40.8122070.3240500.6799350.058*
O30.72725 (6)−0.2174 (3)0.55523 (8)0.0663 (6)
C80.70533 (8)−0.3596 (4)0.58337 (12)0.0431 (5)
C90.66462 (8)−0.4674 (4)0.53539 (12)0.0502 (6)
H50.653892−0.4419230.4878650.060*
C100.64037 (8)−0.6119 (4)0.55876 (12)0.0481 (6)
H60.612702−0.6830770.5266510.058*
C110.65604 (7)−0.6544 (3)0.62891 (11)0.0364 (5)
C120.69618 (8)−0.5421 (4)0.67582 (11)0.0450 (6)
H70.706570−0.5654770.7233960.054*
C130.72109 (9)−0.3961 (4)0.65333 (12)0.0495 (6)
H80.748401−0.3227860.6854130.059*
C140.62991 (8)−0.8193 (3)0.65085 (12)0.0412 (5)
O40.59329 (7)−0.9093 (3)0.61097 (9)0.0752 (6)
O50.64977 (7)−0.8593 (3)0.71782 (9)0.0588 (5)
H140.6295 (12)−0.955 (5)0.7291 (17)0.100 (11)*
N11.02428 (6)0.4870 (3)0.83929 (8)0.0344 (4)
C151.00141 (8)0.6385 (3)0.85747 (11)0.0393 (5)
H90.9711480.6977360.8277900.047*
N21.02700 (6)0.6974 (3)0.92413 (9)0.0381 (4)
C161.06920 (9)0.5743 (4)0.95001 (12)0.0480 (6)
H101.0943040.5786160.9949790.058*
C171.06715 (8)0.4469 (4)0.89792 (11)0.0446 (5)
H111.0910810.3463230.9008310.053*
C181.01303 (8)0.8523 (3)0.96262 (11)0.0393 (5)
C191.02476 (9)0.8157 (3)1.03218 (12)0.0464 (6)
H121.0415090.6913041.0536510.056*
C200.98843 (8)1.0357 (3)0.93023 (11)0.0455 (6)
H130.9807421.0593520.8833090.055*

Source of material

The mixture of 1,4-bis(1-imidazolyl)benzene (bib; 21 mg; 0.1 mmol), 4,4′-oxydibenzoic acid (26 mg; 0.1 mmol), and CoCl2·6H2O (24 mg; 0.1 mmol) was dissolved in 10 mL DMF-H2O solution (V/V, 1:1), giving purple crystals after standing at 50 °C for two weeks (10 mg, 12.8%).

Experimental details

H atoms bound to C atoms were placed in calculated positions and refined as riding on their parent atoms.

Comment

Coordination polymers (CPs) have attracted great attention due to their fascinating topological structures and potential applications [4], [5], [6]. Typically, the self-assembly of rational designed organic carboxylates, N-heterocyclic molecules and metal ions is a successful strategy to achieve targeting coordination polymers. 4,4′-oxybis(benzoate) (oba), known as a semi-rigid dicarboxylate ligand, has been extensively utilized to construct coordination polymers because of its strong coordination ability and tunable structure [7], [8], [9], [10]. To broaden the coordination chemistry of 4,4′-oxybis(benzoate), in this work, 1,4-bis(1-imidazolyl)benzene (bib) was introduced into the assembling system.

The asymmetric unit of the title complex consists of a half of a Co2+ ion, one Hoba ligand, and a half of a bib molecule. Each Co2+ ion is four coordinated in a tetrahedron geometry with two oxygen atoms from two Hoba ligands (Co1–O1 = 1.9672(14) Å), and two nitrogen atoms from two bib ligands (Co1–N1 = 2.0123(16) Å). Each Hoba ligand uses one carboxylate group to coordinate to a Co2+ ion in a monodentate coordination mode. Each bib ligand coordinates to two Co2+ ions using two nitrogen atoms. Thus, a zigzag chain is formed. The neighboring chains are hydrogen bonded with each other through protonated carboxylate groups and uncoordinated oxygen atoms (O5–H14⋯O2 = 2.636(2) Å) to form a 3D network structure.


Corresponding author: Hou-Qun Yuan, Institute of Functional Materials and Agricultural Applied Chemistry, Jiangxi Agricultural University, Nanchang330045, People’s Republic of China, E-mail:

Funding source: National Nature Foundation of China

Award Identifier / Grant number: 31960720

Award Identifier / Grant number: 31560712

Award Identifier / Grant number: 20192ACBL21018

Award Identifier / Grant number: GJJ190215

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

  2. Research funding: National Nature Foundation of China (Nos. 31960720, 31560712), Natural Science Foundation of Jiangxi Province (No. 20192ACBL21018), Education Department of Jiangxi Province (No. GJJ190215).

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

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Received: 2021-01-18
Accepted: 2021-02-18
Published Online: 2021-03-05
Published in Print: 2021-05-26

© 2021 Yi-Fan Xia et al., published by De Gruyter, Berlin/Boston

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

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