Cu(4-chlorophenyloxyacetic acid)₂(H₂O)₂ | 110610-57-6

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: Cu(4-chlorophenyloxyacetic acid)₂(H₂O)₂
• 英文别名: CuL₂(H₂O)₂
• CAS: 110610-57-6；52586-51-3；76985-18-7
• 化学式: C₁₆H₁₆Cl₂CuO₈
• 分子量: 470.75
• InChiKey: IWJSEBXCQBAMHP-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  对氯苯氧乙酸 、 copper(ll) sulfate pentahydrate 在 sodium hydroxide 作用下， 以 甲醇 为溶剂， 反应 72.0h， 以72%的产率得到Cu(4-chlorophenyloxyacetic acid)₂(H₂O)₂
  参考文献：
  名称：

  Synthesis and Structure of Three Novel Complexes Based on 4-Chlorophenyloxyacetic Acid

  摘要：

  Three new metal-organic complexes, [CoL2(H2O)(4)] 1, [CdL2(H2O)(2)] 2, and [CuL2(H2O)(2)] 3 [HL = 4-chlorophenyloxyacetic acid], have been synthesized and characterized by IR spectra, elemental analysis, fluorescence spectra, and single-crystal X-ray diffraction. Compounds 1, 2, and 3 are all zero-dimensional dimers. The carboxylate ligand exhibits different coordination modes in all compounds. These compounds exhibit interesting supramolecular architecture according to O-HO and C-HCl interactions. Compounds 1, 2, and 3 develop to different framework though they all are from same ligands, which will be helpful to design of different materials. [Supplemental materials are available for this article. Go to the publisher's online edition of Molecular Crystals and Liquid Crystals to view the free supplemental file: CCDC 902676, 902674, 902675 contains the supplementary crystallographic data for this article. These data can be obtained free of charge viawww.ccdc.cam.ac.uk/conts/retrieving.html(or from the Cambridge Crystallographic Data Centre, 12, Union Road, Cambridge CB2 1EZ, UK; Fax: C44 1223 336033; e-mail: [e-mail]).]

  DOI：

  10.1080/15421406.2013.821917

文献信息

• Metal-phenoxyalkanoic acid interactions. Part I. Crystal and molecular structures of diaquabis(p-chlorophenoxyacetato)zinc(II)
  作者：Graham Smith、Eric J. O'Reilly、Colin H.L. Kennard、Katarzyna Stadnicka、Barbara Oleksyn

  DOI：10.1016/s0020-1693(00)89315-9

  日期：1981.1

  Abstract The crystal structures of diquabis(p-chlorophenoxyacetato)copper(II) (1) and diaquabis(phenoxyacetato)zinc(II) (2) have been determined by X-ray methods from diffractometer data and refined by least squares to R 03059 (1) and 03032 (2) for 999 and 1472 `observed' reflections respectively. Crystals of (1) are triclinic, space group P 1 with Z = 1 in a unit cell of dimensions a = 7.065(3), b

  摘要用X射线衍射法测定了双四（对氯苯氧基乙酰基）铜（II）（1）和双四（苯氧基乙酰基）锌（II）（2）的晶体结构，并用最小二乘法将其精化至R 03059（ 1）和03032（2）分别用于999和1472个“观察”反射。（1）的晶体是三斜晶系，在尺寸为a = 7.065（3），b = 13.273（11），c = 5.114（2）A，α= 93.72（5）的晶胞中具有Z = 1的空间群P 1 ，β= 103.64（4），γ= 81.63（5）°。该配合物具有中心对称的四边形扭曲的八面体立体化学，由两个不同的双齿苯氧乙酸酯配体的两个水氧[CuO，1.960（4）A]和两个羰基氧[CuO，1.956（4）A]组成配位球轴向位置被两个醚氧占据[CuO，2.406（4）A]。水氧被束缚成二维氢键网络，该氢键网络包含未配位的羧基氧（O⋯O，2.652 A）和配位的羧基氧，O（H2）⋯O距离为2.164和分别为2