Home Physical Sciences Crystal structure of poly[bis(μ3-(1-(3,5-di(1H-imidazol-1-yl)phenyl)-1H-imidazole-κ3N:N′:N′′)cobalt(II)] dinitrate — N,N-dimethylformamide (1/4), C42H52N18O10Co
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Crystal structure of poly[bis(μ3-(1-(3,5-di(1H-imidazol-1-yl)phenyl)-1H-imidazole-κ3N:N′:N′′)cobalt(II)] dinitrate — N,N-dimethylformamide (1/4), C42H52N18O10Co

  • Yabin Sun ORCID logo , Yan Chen ORCID logo EMAIL logo and Daguang Wang ORCID logo
Published/Copyright: July 27, 2020

Abstract

C42H52N18O10Co, monoclinic, P21/c (no. 14), a = 11.3692(7) Å, b = 17.5938(10) Å, c = 12.1825(7) Å, β = 108.6360(10)°, V = 2309.1(2) Å3, Z = 2, Rgt(F) = 0.0308, wRref(F2) = 0.0765, T = 120(2) K.

CCDC no.: 2017047

A part of the molecular structure is shown in the figure. 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:Pink block
Size:0.50 × 0.40 × 0.30 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:0.45 mm−1
Diffractometer, scan mode:Bruker APEX-II, φ and ω
θmax, completeness:26.1°, >99%
N(hkl)measured, N(hkl)unique, Rint:12622, 4555, 0.025
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 3904
N(param)refined:326
Programs:Bruker [1], SHELX [2], [3]
Table 2:

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

AtomxyzUiso*/Ueq
C10.50295(16)−0.03099(9)0.74460(14)0.0231(4)
H10.49490.02180.72710.028*
C20.51863(16)−0.08548(9)0.67257(14)0.0240(4)
H20.5248−0.07850.59730.029*
C30.51260(14)−0.13657(9)0.83505(14)0.0188(3)
H30.5135−0.17340.89230.023*
C40.54015(14)−0.22792(8)0.69166(13)0.0168(3)
C50.64908(14)−0.24554(8)0.66895(13)0.0166(3)
H50.7102−0.20770.67400.020*
C60.66674(13)−0.31990(8)0.63868(13)0.0152(3)
C70.57686(14)−0.37537(8)0.62958(13)0.0175(3)
H70.5894−0.42610.60900.021*
C80.46878(14)−0.35498(8)0.65128(13)0.0170(3)
C90.44873(14)−0.28164(9)0.68254(13)0.0184(3)
H90.3741−0.26860.69730.022*
C100.25249(14)−0.40250(9)0.58227(14)0.0182(3)
H100.2177−0.35900.53750.022*
C110.38964(15)−0.48118(9)0.69371(14)0.0210(3)
H110.4652−0.50380.73970.025*
C120.27410(15)−0.51136(9)0.66544(14)0.0204(3)
H120.2550−0.55940.69090.025*
C130.87911(14)−0.29077(9)0.62772(14)0.0191(3)
H130.8871−0.23930.65280.023*
C140.96257(14)−0.33212(8)0.59478(13)0.0181(3)
H141.0407−0.31380.59330.022*
C150.80852(14)−0.40676(8)0.57917(13)0.0174(3)
H150.7563−0.45030.56550.021*
C160.7751(2)−0.15363(12)0.3913(2)0.0477(6)
H16A0.8543−0.18090.41080.072*
H16B0.7774−0.11760.45340.072*
H16C0.7612−0.12590.31850.072*
C170.68375(18)−0.28144(10)0.32925(17)0.0345(4)
H17A0.6834−0.27530.24920.052*
H17B0.6128−0.31270.33030.052*
H17C0.7610−0.30640.37490.052*
C180.5716(2)−0.18570(12)0.39879(16)0.0375(5)
H180.5074−0.22220.38870.045*
C190.7714(2)0.55752(11)0.90413(18)0.0413(5)
H19A0.82020.52030.96020.062*
H19B0.82710.58890.87620.062*
H19C0.71290.53080.83860.062*
C200.71428(18)0.68079(10)0.96440(16)0.0325(4)
H200.76990.70300.92970.039*
C210.6202(3)0.56839(13)1.0111(2)0.0582(7)
H21A0.55800.53920.95160.087*
H21B0.57850.60661.04400.087*
H21C0.66790.53401.07240.087*
Co10.50000.00001.00000.01317(9)
N10.50021(12)−0.06296(7)0.84765(11)0.0171(3)
N20.52387(12)−0.15309(7)0.73047(11)0.0168(3)
N30.37454(11)−0.41090(7)0.64176(11)0.0175(3)
N40.18785(11)−0.46231(7)0.59421(11)0.0172(3)
N50.77959(11)−0.33892(7)0.61735(11)0.0157(3)
N60.91797(12)−0.40476(7)0.56353(11)0.0169(3)
N70.67509(15)−0.20761(8)0.37847(13)0.0305(3)
N80.63197(13)−0.61213(8)0.66935(13)0.0250(3)
N90.70293(14)0.60573(8)0.95964(13)0.0305(3)
O10.65843(14)0.72401(7)1.01020(12)0.0421(3)
O20.63890(15)−0.55092(7)0.62282(13)0.0482(4)
O30.61188(14)−0.61461(8)0.76438(12)0.0422(3)
O40.64540(15)−0.67303(7)0.62114(12)0.0465(4)
O50.55401(17)−0.12161(9)0.42960(13)0.0547(4)

Source of material

A mixture of 1-(3,5-di(1H-imidazol-1-yl)phenyl)-1H-imidazole (0.2 mmol), Co(NO3)2 ⋅ 6(H2O) (0.2 mmol), H2O (5 mL) and N,N-dimethylformamide (DMF) (5 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, pink block crystals were collected in 54.6% yield based on Co.

Experimental details

Coordinates of hydrogen atoms were positions using geometric considerations. Their Uiso values were set to 1.2Ueq of the parent atoms.

Comment

Coordination polymers (CPs) are inorganic-organic hybrid materials made from the assembly of metal ions and organic linkers. CPs have been used in a wide range of important applications such as gas storage and separation, catalysis, and sensor devices owing to their exceptional tenability and structural diversity [4], [5], [6], [7], [8]. Although thousands of CPs are reported every year, the design and synthesis of CPs with ideal topologies and properties are still an important focus in crystal engineering research. In order to obtain a targeted coordination polymer, it is essential to select appropriate linkers. In this work, we report on the preparation and, characterization of a new coordination polymer with 1-(3,5-di(1H-imidazol-1-yl)phenyl)-1H-imidazole as N-donor ligand.

The asymmetric unit of the title structure contains one half of a crystallographically independent cobalt(II) ion, one 1-(3,5-di(1H-imidazol-1-yl)phenyl)-1H-imidazole, two free DMF molecules and one free nitrate ion. The cobalt(II) is six-coordinated by N atoms from six 1-(3,5-di(1H-imidazol-1-yl)phenyl)-1H-imidazole ligands, forming a distorted octahedral geometry. The distances between Co and the coordinated atoms are: d(Co1⋯N1) = 2.1621(12) Å, d(Co1⋯N4) = 2.1798(12) Å, d(Co1⋯N6) = 2.1766(12) Å, respectivily. The Co(II) coordination angles are in the normal range from 87.84(5)° to 180.0°. These above mentioned bond distances and angles are all in their normal ranges. They can be compared with those previously reported compounds [9], [10], [11]. The Co(II) ions are linked by 1-(3,5-di(1H-imidazol-1-yl)phenyl)-1H-imidazol ligands to form a (3,6)-connected three-dimensional framework, with DMF molecules and nitrate ions locating in the channels to balance the charge and stabilize the whole structure.

Acknowledgements

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

References

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Received: 2020-06-11
Accepted: 2020-07-17
Published Online: 2020-07-27
Published in Print: 2020-10-27

©2020 Yabin Sun 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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  68. Crystal structure of 3-methyl-1-[(E)-(4-phenylbutan-2-ylidene)amino]thiourea, C12H17N3S
  69. Crystal structure of carbonyl{hydridotris[3-phenyl-5-methylpyrazol-1-yl]borato-κ3N,N′N′′}copper(I), C31H28BCuN6O
  70. Crystal structure of ethane-1,2-diylbis(diphenylphosphine oxide) – dihydrogenperoxide (1/2), C26H28O6P2
  71. Crystal structure of 2-(pyridin-2-ylamino)pyridinium chloride dibenzyldichlorostannane, [C10H10N3]Cl, C14H14Cl2Sn
  72. Crystal structure of 4-[(3-methoxyphenyl)carbamoyl]butanoic acid, C12H15NO4
  73. Crystal structure of dichlorido-bis(tri-4-tolylphosphane oxide-κO)-di(4-chlorophenyl-κC)tin(IV), C54H50Cl4O2P2Sn
  74. Crystal structure of dichloridodimethylbis(tri-4-tolylphosphane oxide-κO)-tin(IV), C44H48Cl2O2P2Sn
  75. Crystal structure of chlorido(2-methylquinolin-8-olato-κ2N,O)-bis(4-tolyl-κC)tin(IV), C24H22ClNOSn
  76. Crystal structure of (E)-dichloro(1-chloro-3-methoxyprop-1-en-2-yl)(4-methoxyphenyl)-λ4-tellane, C11H13Cl3O2Te
  77. Crystal structure of bis{N-methyl-N′-[3-(4-methoxyphenyl)-1-methylpropane-1-ylidene]carbamohydrazonothioato}zinc(II), C26H36N6O2S2Zn
  78. Crystal structure of (2-carboxy-4-(3-carboxy-5-carboxylatophenoxy)benzoato-κ2O,O′)bis(1,10-phenantroline-κ2N,N′)cobalt(II), C40H24N4O9Co
  79. The crystal structure of (3S,8R,10R,14R)-17-((2S,5S)-5-(2-hydroxypropan-2-yl)-2-methyltetrahydrofuran-2-yl)-4,4,8,10,14-pentamethyl-12-oxohexadecahydro-1H-cyclopenta[a]phenanthren-3-yl acetate, C32H52O5
  80. Crystal structure of (μ2-1,1′-bis(diphenylphosphino)ferrocene-κ2P,P′)-bis[(Z)N-(3-fluorophenyl)-O-methylthiocarbamato-S]digold(I) chloroform solvate, C50H42Au2F2FeN2O2P2S2, CHCl3
  81. Crystal structure of poly[bis(μ2-1,4-di(1H-imidazol-1-yl)benzene-κ2N:N′)-(μ2-tetraoxidomolybdato(VI)-κ2O:O′)cobalt(II)], C24H20N8O4MoCo
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