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聚[[双-{μ(3)-2-[(3,5-二甲基-1H-吡唑-1-基)(苯基)甲基]丙二酸根合}四钠(I)] 7.5水合物]

Poly[[bis-{μ(3)-2-[(3,5-dimethyl-1H-pyrazol-1-yl)(phen-yl)meth-yl]propane-dioato}tetra-sodium(I)] 7.5-hydrate].

作者信息

Meskini Ihssan, Daoudi Maria, Daran Jean-Claude, Ben Hadda Taibi, Zouihri Hafid

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2010 Jul 24;66(Pt 8):m1009-10. doi: 10.1107/S1600536810028515.

Abstract

The asymmetric unit of the title polymer, {[Na(4)(C(15)H(14)N(2)O(4))(2)]·7.5H(2)O}(n), contains two 2-[(3,5-dimethyl-1H-pyrazol-1-yl)(phen-yl)meth-yl]propane-dioate (ppmp) anions, eight water mol-ecules (one located on a twofold rotation axis) and five sodium cations (one located on an inversion center and the other one located on a twofold rotation axis). The carboxyl-ate groups of the ppmp anions and the water mol-ecules bridge the Na cations, forming a two-dimensional polymeric structure. In the structure there are two types of coordination environment around the metal cations: one Na cation is coordinated by five O atoms in a distorted square-pyramidal geometry while the other four Na cations are coordinated by six O atoms in a distorted octa-hedral geometry. Extensive O-H⋯O and O-H⋯N hydrogen bonding is present in the crystal structure. The H atoms of one methyl group of the ppmp anion are disordered equally over two positions.

摘要

标题聚合物{[Na₄(C₁₅H₁₄N₂O₄)₂]·7.5H₂O}ₙ的不对称单元包含两个2-[(3,5-二甲基-1H-吡唑-1-基)(苯基)甲基]丙二酸根(ppmp)阴离子、八个水分子(一个位于二重旋转轴上)和五个钠离子(一个位于对称中心,另一个位于二重旋转轴上)。ppmp阴离子的羧酸根基团和水分子桥连钠离子,形成二维聚合物结构。在结构中,金属阳离子周围有两种配位环境:一个钠离子由五个氧原子以扭曲的四方锥几何构型配位,而其他四个钠离子由六个氧原子以扭曲的八面体几何构型配位。晶体结构中存在广泛的O—H⋯O和O—H⋯N氢键。ppmp阴离子的一个甲基的氢原子在两个位置上无序分布。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/b2cf/3007501/083ada93ede2/e-66-m1009-fig1.jpg

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