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两种二维氢键配位网络:双(3-羧基苯甲酸根-κO)双(4-甲基-1H-咪唑-κN3)铜(II)和双(3-甲基苯甲酸根-κN)双(4-甲基-1H-咪唑-κN3)铜(II)一水合物。

Two two-dimensional hydrogen-bonded coordination networks: bis(3-carboxybenzoato-kappaO)bis(4-methyl-1H-imidazole-kappaN3)copper(II) and bis(3-methylbenzoato-kappaN)bis(4-methyl-1H-imidazole-kappaN3)copper(II) monohydrate.

作者信息

Wang Ziliang, Wei Linheng

机构信息

Institute of Molecule and Crystal Engineering, College of Chemistry and Chemical Engineering, Henan University, Kaifeng 475001, People's Republic of China.

出版信息

Acta Crystallogr C. 2009 Dec;65(Pt 12):m481-4. doi: 10.1107/S0108270109048203. Epub 2009 Nov 25.

Abstract

The title two-dimensional hydrogen-bonded coordination compounds, [Cu(C(8)H(5)O(4))(2)(C(4)H(6)N(2))(2)], (I), and [Cu(C(8)H(7)O(2))(2)(C(4)H(6)N(2))(2)].H(2)O, (II), have been synthesized and structurally characterized. The molecule of complex (I) lies across an inversion centre, and the Cu(2+) ion is coordinated by two N atoms from two 4-methyl-1H-imidazole (4-MeIM) molecules and two O atoms from two 3-carboxybenzoate (HBDC(-)) anions in a square-planar geometry. Adjacent molecules are linked through intermolecular N-H...O and O-H...O hydrogen bonds into a two-dimensional sheet with (4,4) topology. In the asymmetric part of the unit cell of (II) there are two symmetry-independent molecules, in which each Cu(2+) ion is also coordinated by two N atoms from two 4-MeIM molecules and two O atoms from two 3-methylbenzoate (3-MeBC(-)) anions in a square-planar coordination. Two neutral complex molecules are held together via N-H...O(carboxylate) hydrogen bonds to generate a dimeric pair, which is further linked via discrete water molecules into a two-dimensional network with the Schläfli symbol (4(3))(2)(4(6),6(6),8(3)). In both compounds, as well as the strong intermolecular hydrogen bonds, pi-pi interactions also stabilize the crystal stacking.

摘要

已合成并对标题为二维氢键配位化合物[Cu(C₈H₅O₄)₂(C₄H₆N₂)₂](I)和[Cu(C₈H₇O₂)₂(C₄H₆N₂)₂]·H₂O(II)进行了结构表征。配合物(I)的分子位于一个对称中心上,Cu²⁺离子由来自两个4 - 甲基 - 1H - 咪唑(4 - MeIM)分子的两个N原子和来自两个3 - 羧基苯甲酸根(HBDC⁻)阴离子的两个O原子以平面正方形几何构型配位。相邻分子通过分子间N - H...O和O - H...O氢键连接成具有(4,4)拓扑结构的二维片层。在(II)的晶胞不对称部分中有两个独立的对称分子,其中每个Cu²⁺离子也由来自两个4 - MeIM分子的两个N原子和来自两个3 - 甲基苯甲酸根(3 - MeBC⁻)阴离子的两个O原子以平面正方形配位。两个中性配合物分子通过N - H...O(羧酸盐)氢键结合在一起形成二聚体对,该二聚体对通过离散的水分子进一步连接成具有施莱夫利符号(4(3))(2)(4(6),6(6),8(3))的二维网络。在这两种化合物中,除了强分子间氢键外,π - π相互作用也稳定了晶体堆积。

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