Home Crystal structure of bis(5-methoxy-2-(((2-oxidoethyl)imino)methyl)phenolate-κ3O,N,O′)manganes(IV), C20H22N2O6Mn
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Crystal structure of bis(5-methoxy-2-(((2-oxidoethyl)imino)methyl)phenolate-κ3O,N,O′)manganes(IV), C20H22N2O6Mn

  • Zhang Cuihong , Wei Xiaohu , Yang Liguo , He Zhenzhen , Li Xin and Miao Zongcheng EMAIL logo
Published/Copyright: February 5, 2019

Abstract

C20H22N2O6Mn, orthorhombic, Pccn (no. 56), a = 14.1678(16) Å, b = 14.3469(18) Å, c = 19.335(2) Å, V = 3930.1(8) Å3, Z = 8, Rgt(F) = 0.0504, wRref(F2) = 0.1441, T = 293(2) K.

CCDC no.: 1890446

The crystal structure is shown in the figure. Tables 1 and 2 contain details on crystal structure and measurement conditions and a list of the atoms including atomic coordinates and displacement parameters.

Table 1:

Data collection and handling.

Crystal:Black block
Size:0.16 × 0.12 × 0.10 mm
Wavelength:Mo Kα radiation (0.71073 Å)
μ:0.71 mm−1
Diffractometer, scan mode:Bruker APEX, ω-scans
θmax, completeness:25.0°, >99%
N(hkl)measured, N(hkl)unique, Rint:41463, 3458, 0.036
Criterion for Iobs, N(hkl)gt:Iobs > 2 σ(Iobs), 3060
N(param)refined:265
Programs:Bruker [1], SHELX [2], [3]
Table 2:

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

AtomxyzUiso*/Ueq
Mn10.25000.75000.22830(4)0.0297(2)
Mn20.25000.25000.28592(4)0.0286(2)
N10.25570(17)0.61275(18)0.23685(15)0.0336(6)
N20.38819(18)0.24913(17)0.27819(14)0.0322(6)
O1−0.09137(19)0.6151(2)0.02074(14)0.0582(8)
O20.15803(16)0.73900(14)0.15605(13)0.0378(5)
O30.34519(18)0.74677(16)0.29354(13)0.0445(6)
O40.25679(15)0.15931(18)0.35801(14)0.0457(6)
O50.25675(14)0.34313(15)0.21969(13)0.0378(6)
O60.3657(2)−0.1022(2)0.48561(17)0.0666(9)
C1−0.0197(2)0.6077(3)0.06722(18)0.0437(8)
C2−0.0060(3)0.5176(3)0.0934(2)0.0509(10)
H2−0.04450.46870.07910.061*
C30.0644(3)0.5026(2)0.1399(2)0.0480(9)
H30.07410.44260.15660.058*
C40.1234(2)0.5758(2)0.16372(17)0.0347(7)
C50.1084(2)0.6667(2)0.13710(17)0.0323(7)
C60.0367(2)0.6810(2)0.08762(17)0.0381(7)
H60.02740.74000.06880.046*
C70.1963(2)0.5540(2)0.21161(17)0.0361(8)
H70.20150.49230.22580.043*
C80.3274(2)0.5834(2)0.28768(19)0.0440(8)
H8A0.38660.56860.26490.053*
H8B0.30620.52910.31320.053*
C90.3390(3)0.6657(3)0.3350(2)0.0535(10)
H18A0.28540.67020.36600.064*
H18B0.39580.65870.36250.064*
C100.4182(2)0.1112(2)0.34563(17)0.0344(7)
C110.4871(3)0.0469(3)0.3673(2)0.0526(10)
H200.54830.05320.35030.063*
C120.4682(3)−0.0235(3)0.4117(2)0.0614(12)
H210.5149−0.06630.42340.074*
C130.3766(3)−0.0313(3)0.44012(19)0.0470(9)
C140.3075(2)0.0313(2)0.42150(18)0.0393(8)
H230.24780.02650.44120.047*
C150.3254(2)0.1024(2)0.37326(16)0.0328(7)
C160.4442(2)0.1862(2)0.30112(17)0.0320(7)
H310.50710.18970.28760.038*
C170.4216(2)0.3260(2)0.2343(2)0.0426(8)
H32A0.47950.30900.21070.051*
H32B0.43300.38160.26170.051*
C180.3426(2)0.3420(2)0.1832(2)0.0440(8)
H36A0.35180.40090.15940.053*
H36B0.34200.29250.14890.053*
C19−0.1147(4)0.7048(4)−0.0053(3)0.0774(15)
H37A−0.13080.74520.03240.116*
H37B−0.16750.6997−0.03620.116*
H37C−0.06160.7300−0.02980.116*
C200.2802(3)−0.1060(4)0.5241(2)0.0723(14)
H39A0.2692−0.04690.54590.108*
H39B0.2850−0.15360.55890.108*
H39C0.2287−0.12020.49360.108*

Source of material

Ligand was synthesized according to the reference method [4]. All other reagents were commercially available and used as purchased. A mixture of 2-(((2-hydroxyethyl)imino)methyl)-5-methoxyphenol (156.17 mg, 0.4 mmol), 1,2,4-triazole (69.21 mg, 0.4 mmol) and methanol (10 mL) was heated at 60 °C for 10 h, and then cooled to room temperature. The resulting black block crystals of the title compound were obtained and washed with distilled water. The yield is ca. 30%. IR(KBr): 3257(s), 1588(s), 1559(s), 1456(s), 1455(s), 1349(s), 1286(s), 1156(s), 1115(s), 1052(s), 1001(s), 925(s), 859(s), 814(m), 761(m), 721(m), 600(m), 444(m) cm−1.

Comment

The design and synthesis of manganese complexes have progressed extensively in recent years [5], [6], [7]. Recently, many manganese complexes have been synthesized and proposed for various applications [8], [9], [10].

The title compound crystallizes in the orthorhombic space group Pccn with eight formula units in the unit cell. There are two C2 symmetrically complexes in the asymmetric unit. As shown in the figure, one formula unit consists of two schiff ligands and one Mn atom. Each Mn ion is in an octahedral coordination environment, with two nitrogen atoms and four oxygen atoms from the two schiff ligands. Geometric parameters are similar to the literature [11].

Award Identifier / Grant number: 51602007

Award Identifier / Grant number: 51673157

Funding source: Natural Science Basic Research Plan in Shaanxi Province of China

Award Identifier / Grant number: 2017JM5134

Award Identifier / Grant number: 2018JM5047

Funding source: Shaanxi Provincial Education Department

Award Identifier / Grant number: 18JK1206

Funding source: Science Research Foundation of Xijing University

Award Identifier / Grant number: XJ17B07

Funding source: National Students-Platform for Innovation and Entrepreneurship Training Program

Award Identifier / Grant number: 201812715003

Funding statement: This work was supported by the National Natural Science Foundation of China (Grant No. 51602007, Grant No. 51673157), the Natural Science Basic Research Plan in Shaanxi Province of China (Grant No. 2017JM5134, Grant No. 2018JM5047), Scientific Research Program Funded by Shaanxi Provincial Education Department (Grant No. 18JK1206), the Science Research Foundation of Xijing University (Grant No. XJ17B07), the National Students-Platform for Innovation and Entrepreneurship Training Program (Grant No. 201812715003).

References

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Received: 2018-11-09
Accepted: 2019-01-11
Published Online: 2019-02-05
Published in Print: 2019-03-26

©2019 Zhang Cuihong 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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  61. Crystal structure of poly-[(μ2(carboxylatomethyl)((3-nitrophenyl)sulfonyl)amido-κ3N: O:O′)(μ2-4,4′-bipyridine-κ2N:N′)copper(II)], C18H14CuN4O6S
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  63. Crystal structure of N-((3R,10S,13S,17S)-17-((S)-1-(dimethylamino)ethyl)-10,13-dimethylhexadecahydro-1H-cyclopenta[a]phenanthren-3-yl)-N-methylbenzamide, C31H48N2O
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  66. Crystal structure of diaqua-dichlorido-bis(μ2-2-(((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)imino)methyl)phenolato-κ4O:O,N,O′)dicobalt(II), C36H36Cl2N6O6Co2
  67. Crystal structure of catena-poly[diaqua-(μ2-1,2-bis(4-pyridinyl)ethyane-κ2N:N′)-(μ2–pyridazine-4,5-dicarboxylato-κ2O:O′)]dizinc(II) dihydrate, C12H12ZnN3O6
  68. The crystal structure of 2-(4-chloro-2,6-dinitrophenyl)-1-(4-chloro)diazene oxide, C12H6Cl2N4O5
  69. Crystal structure of 2-isopropylthioxanthone, C16H14OS
  70. Crystal structure of methyl 2-(4-(3-(1-methyl-1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-6-yl)phenyl)acetate, C19H17N5O2
  71. Crystal structure of 4,4-dimethyl-2-(trifluoromethyl)-4,5-dihydro-1H-imidazole, C6H9F3N2
  72. Crystal structure of N-methylanilinium 5,7-dihydroxy-4-oxo-2-phenyl-4H-chromene-8-sulfonate monohydrate, C22H21NO8S
  73. Crystal structure of methyl 4-acetoxybenzoate, C10H10O4
  74. Crystal structure of catena-poly[(bis(μ-1,1′-[(5-methoxy-2,4,6-trimethyl-1,3-phenylene)bis(methylene)]bis(1H-1,2,4-triazole)-κ2N:N′)-bis(isothiocyanato-κN)manganese(II)], C34H40MnN14O2S2
  75. Crystal structure of N-(2-methylphenyl)(propan-2-yloxy)carbothioamide, C11H15NOS
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