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双(μ-3-羧基-2-羟基丙烷-1,2-二羧酸根)双(二水合锌)-1,2-双(吡啶-4-基)乙烯-水(1/1/2)

Bis(μ-3-carb-oxy-2-hy-droxy-propane-1,2-dicarboxyl-ato)bis(diaquazinc)-1,2-bis-(pyridin-4-yl)ethene-water (1/1/2).

作者信息

Hwang In Hong, Kim Pan-Gi, Kim Cheal, Kim Youngmee

机构信息

Department of Fine Chemistry, Seoul National University of Science and Technology, Seoul 139-743, Republic of Korea.

出版信息

Acta Crystallogr Sect E Struct Rep Online. 2012 Oct 1;68(Pt 10):m1305-6. doi: 10.1107/S1600536812039761. Epub 2012 Sep 26.

DOI:10.1107/S1600536812039761
PMID:23125618
原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC3470174/
Abstract

The asymmetric unit of the title compound, [Zn(2)(C(6)H(6)O(7))(2)(H(2)O)(4)]·C(12)H(10)N(2)·2H(2)O, comprises half of a centrosymmetric complex dimer, half of a 1,2-bis-(pyridin-4-yl)ethene mol-ecule, which lies across an inversion centre, and one lattice water mol-ecule. Carboxyl-ate groups of two dianionic citrate ligands bridge two Zn(II) ions to give the cyclic dimer, with each Zn(II) ion coordinated by four O atoms from the chelating citrate ligand (one hy-droxy and three carboxyl-ate, with one bridging) and two water O atoms, forming a distorted octa-hedral environment [Zn-O = 2.040 (3)-2.244 (3) Å]. In the crystal, O-H⋯O and O-H⋯N hydrogen bonds involving hy-droxy groups and both coordinating and lattice water mol-ecules link the dimers to give a three-dimensional framework structure.

摘要

标题化合物[Zn₂(C₆H₆O₇)₂(H₂O)₄]·C₁₂H₁₀N₂·2H₂O的不对称单元包括一个中心对称的络合物二聚体的一半、一个位于对称中心上的1,2-双(吡啶-4-基)乙烯分子的一半以及一个晶格水分子。两个二价柠檬酸根配体的羧酸根基团桥连两个Zn(II)离子形成环状二聚体,每个Zn(II)离子由螯合柠檬酸配体的四个O原子(一个羟基和三个羧酸根,其中一个为桥连)以及两个水分子的O原子配位,形成扭曲的八面体环境[Zn - O = 2.040 (3)-2.244 (3) Å]。在晶体中,涉及羟基以及配位水分子和晶格水分子的O - H⋯O和O - H⋯N氢键将二聚体连接起来,形成三维骨架结构。

https://cdn.ncbi.nlm.nih.gov/pmc/blobs/266a/3470174/eb141ea54bae/e-68-m1305-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/266a/3470174/eb141ea54bae/e-68-m1305-fig1.jpg
https://cdn.ncbi.nlm.nih.gov/pmc/blobs/266a/3470174/eb141ea54bae/e-68-m1305-fig1.jpg

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