[Cd(N-(diisopropoxyphosphoryl)-p-bromothiobenzamide(1-))(N-(diisopropoxyphosphoryl)-p-bromothiobenzamide)2] | 1173826-03-3

• 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: [Cd(N-(diisopropoxyphosphoryl)-p-bromothiobenzamide(1-))(N-(diisopropoxyphosphoryl)-p-bromothiobenzamide)2]
• 英文别名: ((N-(diisopropoxyphosphoryl)-p-bromothiobenzamide)(-1H))2(N-(diisopropoxyphosphoryl)-p-bromothiobenzamide)2Cd；(p-BrC6H4C(S)NP(O)(O-i-Pr)2)2(p-BrC6H4C(S)NHP(O)(O-i-Pr)2)2Cd
• CAS: 1173826-03-3
• 化学式: C₅₂H₇₄Br₄CdN₄O₁₂P₄S₄
• 分子量: 1631.36
• InChiKey: JDICETRZTNFESH-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：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  potassium N-diisopropylxyphosphinyl-p-bromothiobenzamide 、 水 、 cadmium(II) acetate 以 水 为溶剂， 以82%的产率得到[Cd(N-(diisopropoxyphosphoryl)-p-bromothiobenzamide(1-))(N-(diisopropoxyphosphoryl)-p-bromothiobenzamide)2]
  参考文献：
  名称：

  Solvent-dependent formation of two different Cd(II) complexes with p-BrC6H4C(S)NHP(O)(OiPr)2 (HL). Crystallographic modification of Cd(HL)2L2

  摘要：

  Reaction of the potassium salt of N-(diisopropoxyphosphoryl)-p-bromothiobenzamide p-BrC6H4C(S)NHP (O)(OiPr)(2) (HL) with Cd(II) cations in freshly dried and distilled EtOH leads exclusively to the complex [Cd(p-BrC6H4C(S)NH2-S)(L-O,S)(2)] ([Cd(L-1)L-2]), while the same reaction in H2O leads to the complex [Cd(HL-O)(2)(L-O,S)(2)] ([Cd(HL)(2)L-2]). The corresponding reactions with Zn(II) always lead to the complex [Zn(L-O,S)(2)] ([ZnL2]) regardless of the solvent. The crystal structure of [Cd(HL)(2)L-2]center dot 2/3H(2)O reveals to be a polymorph to the previously reported anhydrous [Cd(HL)(2)L-2]. (C) 2010 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2010.02.031

文献信息

• Versatile coordination of N-(diisopropoxyphosphoryl)-p-bromothiobenzamide towards Zn(II) and Cd(II)
  作者：Damir A. Safin、Axel Klein、Maria G. Babashkina、Heinrich Nöth、Dmitriy B. Krivolapov、Igor A. Litvinov、Henryk Kozlowski

  DOI：10.1016/j.poly.2009.03.007

  日期：2009.6

  Reaction of the potassium salt of N-(diisopropoxyphosphoryl)-p-bromothiobenzamide p-BrC6H4C(S) NHP(O)(OiPr)(2) (HL) with Zn(II) and Cd(II) cations in aqueous EtOH leads to the three different complexes: [Zn(L-O,S)(2)] (1), [Cd(p-BrC6H4C(S)NH2-S)(L-O,S)(2)] (2) and [Cd(HL-O)(2)(L-O,S)(2)] (3). The structures of these compounds were investigated by single crystal X-ray diffraction analysis, IR, H-1 and P-31 NMR spectroscopy, MALDI TOF spectrometry, and microanalysis. The Zn(II) atom in complex 1 is in a distorted tetrahedral O2S2 environment formed by the C=S sulfur atoms and the P=O oxygen atoms of two deprotonated ligands. Complex 2 has a trigonal-bipyramidal coordination core, Cd(O-ax)(2)(S-eq)(3), and two deprotonated ligand molecules L are coordinated in the axial positions through the oxygen atoms of the P=O groups. The trigonal plane is formed by the sulfur atoms of two anionic ligands and one p-bromothiobenzamide. The Cd(II) cation in complex 3 has an octahedral environment, (O-ax)(2)(O-eq)(2)(S-eq)(2), with two neutral ligand molecules coordinated in the axial positions through the oxygen atoms of the P=O groups. The equatorial plane is formed by two anionic ligands in a typical 1,5-O,S-coordination mode. The corresponding neutral and deprotonated ligands are in a trans disposition. (C) 2009 Elsevier Ltd. All rights reserved.