Crystal Structure of a Novel Binuclear Copper(II) Complex with 2-(Methoxycarbonyl)benzoic Acid

Tonghuan Liu, Liang Huang, Fengjuan Chen, Pinxian Xi, Zhihong Xu, Min Xu, Z. Zeng
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引用次数: 1

Abstract

were made on a BRUKER SMART 1000 CCD diffractometer equipped with graphite crystal monochromatized Mo K a radiation ( l = 0.71073 Å) at 296(2)K. The structure was solved by direct methods with the SHELXS-97 program, and refined anisotropically by full-matrix least-squares methods for all non-H atoms. All H-atoms were added according to theoretical A novel binuclear copper(II) complex with 2-(methoxycarbonyl)benzoic acid (HL), N , N -dimethylformamide (DMF) and methanol [Cu 2 L 4 (DMF)(CH 3 OH)·CH 3 OH] was synthesized. The complex was crystallized in the monoclinic system. The space group was P n with a = 14.410(3)Å, b = 10.540(2)Å, c = 14.496(3)Å, b = 91.082(4)˚, V = 2201.4(9)Å 3 and Z = 2. The final R value was 0.0227. Each Cu(II) ion is coordinated by four carboxylate O donor atoms from four ligands, and by O donor atoms from the solvent molecule, DMF for Cu(1); for Cu(2) it is the O atom of methanol. The whole molecule looks like a “pedal-wheel”. The O–H · O hydrogen bonds between the compound and the solvent molecule stabilize the crystal structure by causing the formation of a one-dimensional chain structure.
新型双核铜(II)与2-(甲氧羰基)苯甲酸配合物的晶体结构
在296(2)K下,采用石墨晶体单色化Mo K a辐射(l = 0.71073 Å),在BRUKER SMART 1000 CCD衍射仪上制备。用SHELXS-97程序直接求解了结构,并用全矩阵最小二乘法对所有非h原子进行了各向异性细化。将所有h原子按理论加入,合成了一种新型的2-(甲氧羰基)苯甲酸(HL)、N, N -二甲基甲酰胺(DMF)和甲醇[cu2 L 4 (DMF)(ch3 OH)·ch3 OH]双核铜(II)配合物。该配合物在单斜晶系中结晶。空间群为P n, a = 14.410(3)Å, b = 10.540(2)Å, c = 14.496(3)Å, b = 91.082(4)˚,V = 2201.4(9)Å 3, Z = 2。最终R值为0.0227。每个Cu(II)离子由来自四个配体的四个羧酸O给体原子和来自溶剂分子DMF的O给体原子配位;对于Cu(2),它是甲醇的O原子。整个分子看起来像一个“脚踏轮”。化合物与溶剂分子之间的O - h·O氢键通过形成一维链结构来稳定晶体结构。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
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