aqua (1,10-phenanthroline)-(oxalato-O'O'') copper(II) monohydrate | 101190-26-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 喹啉及其衍生物
• 英文名称: aqua (1,10-phenanthroline)-(oxalato-O'O'') copper(II) monohydrate
• 英文别名: [copper(II)(1,10-phenanthroline)(oxalate)(H2O)]*H2O；[Cu(II)(ox)(phen)(H2O)]*H2O；oxalato(aqua)(phenanthroline)copper(II) monohydrate；copper;oxalate;1,10-phenanthroline;dihydrate
• CAS: 101190-26-5
• 化学式: C₁₄H₁₀CuN₂O₅*H₂O
• 分子量: 367.805
• InChiKey: HERDDHAXOJPFMG-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.38
• 重原子数：
  23
• 可旋转键数：
  0
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  108
• 氢给体数：
  2
• 氢受体数：
  8

反应信息

• 作为产物：
  描述：

  1,10-菲罗啉 、 potassium bis(oxalato)cuprate(II) dihydrate 以 乙醇 、 水 为溶剂， 以30%的产率得到aqua (1,10-phenanthroline)-(oxalato-O'O'') copper(II) monohydrate
  参考文献：
  名称：

  铜（II）与草酸酯的二维配位聚合物：晶格水控制结构。

  摘要：

  三个草酸铜（II）配合物，[Cu（bipy）（C（2）O（4））（H（2）O）]。2H（2）O（1），[Cu（nphen）（C（2 ）O（4））（H（2）O）]。2H（2）O（2）和[Cu（phen）（C（2）O（4））（H（2）O）]。H （2）O（3）（联吡啶= 2,2'-联吡啶，nphen = 5-硝基-1,10-菲咯啉和phen = 1,10-菲咯啉），已经确定了它们的晶体结构。化合物1在三斜空间群P1中结晶，其a = 7.2554（10）A，b = 10.5712（14）A，c = 10.8178（15）A，alpha = 62.086（2）度，beta = 77.478（3）度， γ= 81.773（3）度，Z =2。化合物2在三斜空间群P1中结晶，其a = 9.582（2）A，b = 10.086（2）A，c = 10.592（2）A，alpha = 64.18 （3）度，β=

  DOI：

  10.1021/ic001291f

文献信息

• Structural Evidences for the Oxidation of α-Hydroxycarboxilic Acids to Oxalate Assisted by Copper(II) Ions
  作者：Alfonso Castiñeiras、Susana Balboa、Rosa Carballo、Josefa María González-Pérez、Juan Niclós-Gutiérrez

  DOI：10.1002/zaac.200600362

  日期：2007.5

  Their crystal structures are reported. The copper(II) atom exhibits a 4+1 five-coordinate CuN2O2O′ environment in 1, a 4+2 elongated rhombic octahedral CuN2O2O′2 stereochemistry in 2 or 3, and a 4+1+1 tetragonally elongated octahedral Cu2N2O2O′O″ surrounding in 4 or 5. The ligand arrangement and the packing of 5 seem to be strongly influenced by intra- and inter-molecular hydrogen bonding as well

  单核、双核或多核的草酸铜 (II) 配合物 [Cu(phen)(ox)(H2O)]· (1), [Cu(μ-ox)(bpy)]· · 1/2EtOH}n (2), [Cu(μ-ox)(bpy)]·2 }n (3), [Cu(NO3)(bpy)( )}2(μ-ox)] ( 4) 和 [Cu( )(phen)( )}2(μ-ox)] (5)（ox = 草酸根，phen = 1,10-菲咯啉 y bpy = 2,2'-联吡啶）通过使 Cu2CO3(OH)2·2 或 Cu( )2·3 盐与乙醇酸 (H2GLYO) 或乳酸 (H2LACO) 酸或 D-葡萄糖酸 δ-内酯（δ-葡萄糖酸内酯，H2δ-Glc）在二亚胺存在下反应辅助配体。报道了它们的晶体结构。铜 (II) 原子在 1 中表现出 4+1 五配位 CuN2O2O' 环境，在 2 或 3 中表现出
• Homo- and heterometallic oxalate-based complexes obtained using [Cr(C2O4)3]3− building block – Two polymorphs of a solvate
  作者：Lidija Kanižaj、Krešimir Molčanov、Lidija Androš Dubraja、Teodoro Klaser、Marijana Jurić

  DOI：10.1016/j.poly.2021.115556

  日期：2022.1

  [Cu(H2O)(phen)2]2+ cations in 1 and 2 are distorted from square pyramidal toward trigonal bipyramidal conformation, while those of [CuCl(phen)2]+ have a trigonal bipyramidal geometry. Interestingly, in the presence of [NBu4]+ cations, and applying slow liquid diffusion, partial decomposition of the building block [Cr(C2O4)3]3− occurred and the homobinuclear oxalate-bridged complex [Cu(bpy)Cl}2(µ-C2O4)]·CH3OH

  两种异金属络盐，作为溶剂化物的多晶型，由三个不同的单核单元组成，[CuCl(phen) 2 ][Cu(H 2 O)(phen) 2 ][Cr(C 2 O 4 ) 3 ]· n H 2 O [ n  = 5 ( 1 ) 和n  = 8 ( 2 ); [Cr(C 2 O 4 ) 3 ] 3−在反应中获得phen = 1,10-菲咯啉]被用作建筑单元。溶剂化物的多晶型物以结晶形式获得，其包括的溶剂分子的类型或化学计量不同，主要在不同条件下获得。在这个 [Cu II Cr III ] 系统中，所使用的溶剂和结晶方法会影响最终产品，即特定溶剂型的形成。K 3 [Cr(C 2 O 4 ) 3 ]·3H 2 O的水溶液与含有苯酚和CuCl 2 ·2H 2 O的乙腈溶液反应，采用分层法生成化合物1；和化合物2可以从这些反应物的混合物中获得，但使用甲醇代替乙腈。基于三角形度数τ的指数参数，1和2中[Cu(H
• Measurement and explanation of the d-d transition spectra of [Cu(o-phen)(ox) · H2O] · H2O
  作者：Li Jianmin、Ge Cunwang

  DOI：10.1016/0584-8539(90)80266-2

  日期：1990.1
• Ketopiperazinediacetate zinc and copper complexes in the degradation of ethylenediaminetriaceta
  作者：Yu-Chen Yang、Hua-Lin Zhang、Zhao-Hui Zhou

  DOI：10.1016/j.inoche.2011.03.051

  日期：2011.6

  Polymeric ketopiperazinediacetate complexes [M(kpda)(H(2)O)(2)](n)center dot H(2)O (M = Cu, 1; Zn, 2. H(2)kpda = ketopiperazinediacetic acid, C(8)H(12)N(2)O(5)) were obtained from the reactions of copper chloride and zinc nitrate with ethylenediaminetriacete at pH 5.0 (H(3)ed3a = ethylenediaminetriacetic acid), where ed3a is in equilibrium with amidation product of kpda. 1 or 2 consists of a monomeric neutral unit [M(kpda)(H(2)O)(2)](n), where ketopiperazinediacetate anion serves as bridged ligand through the amine nitrogen and the acetate oxygen forming a glycinate metallocycle, and the other acetate coordinates bidentately with the neighboring metal atom. The former could be converted to [Cu(II)(ox)(phen)(H(2)O)]center dot H(2)O (3) after the addition of phenanthroline (H(2)ox = oxalic acid, phen = phenanthroline), which shows degradation of ethylenediaminetriaceta, where [Cu(I)(phen)(2)Cl]center dot 6H(2)O (4) and [Cu(II)(phen)(2)(H(2)O)](NO(3))(2) (5) were isolated in the reaction sequence. (C) 2011 Elsevier B.V. All rights reserved.