Wang Ziliang, Wei Linheng
Institute of Molecule and Crystal Engineering, College of Chemistry and Chemical Engineering, Henan University, Kaifeng 475001, People's Republic of China.
Acta Crystallogr C. 2009 Dec;65(Pt 12):m481-4. doi: 10.1107/S0108270109048203. Epub 2009 Nov 25.
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.
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。
