Ni2(2,2'-bipyridine)2(acetate)3(acetohydroxamate)*EtOH | 500588-19-2

• 英文名称: Ni2(2,2'-bipyridine)2(acetate)3(acetohydroxamate)*EtOH
• CAS: 500588-19-2
• 化学式: C₂H₆O*C₂₈H₂₉N₅Ni₂O₈
• 分子量: 727.016
• InChiKey: GUODCRLQYWZPKV-UHFFFAOYSA-K

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：

  2,2'-联吡啶 、 乙醇 、 乙酰氧肟酸 、 nickel diacetate 以 乙醇 为溶剂， 以39%的产率得到Ni2(2,2'-bipyridine)2(acetate)3(acetohydroxamate)*EtOH
  参考文献：
  名称：

  Ni(II) complexes as models for inhibited urease

  摘要：

  Nickel(II) complexes with the ligands 2,2'-dipyridyl ketone (dpk) and 2,2'-bipyridine (bipy) were prepared in order to study the mode of bonding of hydroxamic acid as secondary ligand. The structures of the novel complexes 1-3 were characterised by X-ray structure determination and IR spectroscopy. [Ni-4(dpkOH)(4)(CH3CO2)(4)].4CH(3)CH(2)OH (1) is monoclinic, space group P2(1)/c, with a = 12.646(3) Angstrom, b = 14.031(3) Angstrom, c = 18.731(4) Angstrom, beta = 105.80(3)degrees. Substitution of 1 equiv. of Ni(CH3CO2)(2) by acetohydroxantic acid (aha) results in the formation of [Ni-4(dpkOH)(2)(dpkOCH(2)CH(3))(2)(CH3CONHO)(2)]Cl-2 (2) (triclinic, space group P (1) over bar, a = 10. 872(2) Angstrom, b = 12.252(2) Angstrom, c = 12.348(2) Angstrom, alpha = 76.90(3)degrees, beta = 74.70(3)degrees, gamma = 76.57(3)degrees). [Ni-2(bipy)(2)(CH3CO2)(3)(CH3CONHO)] . CH3CH2OH (3) is triclinic, space group P (1) over bar with a = 8.800(2) Angstrom, b = 9.193(2) Angstrom, c = 22.091(4) Angstrom, alpha = 95.30(3)degrees, beta 92.85(3)degrees, gamma = 111.55(3)degrees). The coordination spheres of 2 and 3 are similar to that found in the active site of the acetohydroxamate-inhibited C319A variant of Klebsiella aerogenes urease. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01098-8