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链状聚[[[二水合-(1,3-苯并咪唑-κN)锰(II)]-μ-苯-1,3-二羧酸根-κO,O:O]二水合物]

catena-Poly[[[diaqua-(1,3-benzimidazole-κN)manganese(II)]-μ-benzene-1,3-di-carboxyl-ato-κO,O:O] dihydrate].

作者信息

Wang Xiao-Hui

机构信息

Zhejiang College of Construction, Hangzhou 311231, People's Republic of China.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2011 Apr 1;67(Pt 4):m423-4. doi: 10.1107/S1600536811008555. Epub 2011 Mar 12.

Abstract

In the polymeric title complex, {[Mn(C(8)H(4)O(4))(C(7)H(6)N(2))(H(2)O)(2)]·2H(2)O}(n), the Mn(II) cation is coordinated by two benzene-dicarboxyl-ate anions, one benzimidazole ligand and two water mol-ecules in a distorted MnNO(5) octa-hedral geometry. In the crystal, each benzene-dicarboxyl-ate anion bridges adjacent Mn(II) cations through the terminal carboxyl-ate groups, forming a polymeric complex chain along the a axis. One Mn-O(carboxyl-ate) bond is much longer than the others. In the crystal, π-π stacking is observed between nearly parallel [dihedral angle = 4.32 (6)°] benzimidazole aromatic ring systems of adjacent mol-ecules, the centroid-centroid distance between the imidazole and benzene rings being 3.5421 (11) Å. Extensive inter-molecular O-H⋯O and N-H⋯O hydrogen bonding is present in the crystal structure. The two lattice water mol-ecules are located on twofold rotation axes.

摘要

在聚合标题配合物{[Mn(C₈H₄O₄)(C₇H₆N₂)(H₂O)₂]·2H₂O}ₙ中,Mn(II)阳离子由两个苯二甲酸根阴离子、一个苯并咪唑配体和两个水分子配位,形成扭曲的MnNO₅八面体几何构型。在晶体中,每个苯二甲酸根阴离子通过末端羧酸根基团桥连相邻的Mn(II)阳离子,沿a轴形成一条聚合配合物链。一条Mn - O(羧酸根)键比其他键长得多。在晶体中,相邻分子的近乎平行的[二面角 = 4.32 (6)°]苯并咪唑芳香环系统之间存在π - π堆积,咪唑环和苯环之间的质心 - 质心距离为3.5421 (11) Å。晶体结构中存在广泛的分子间O - H⋯O和N - H⋯O氢键。两个晶格水分子位于二重旋转轴上。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/f10c/3099958/9fc6c3d7d6e1/e-67-0m423-fig1.jpg

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