2-acetylpyridine 1-oxide oxime | 81947-47-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: 2-acetylpyridine 1-oxide oxime
• 英文别名: 2-acetylpyridine-1-oxide oxime
• CAS: 81947-47-9
• 化学式: C₇H₈N₂O₂
• 分子量: 152.153
• InChiKey: PGIFKBWUFIIOQT-UHFFFAOYSA-N

物化性质

• 沸点：
  417.5±18.0 °C(Predicted)
• 密度：
  1.20±0.1 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  0.52
• 重原子数：
  11.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.14
• 拓扑面积：
  59.53
• 氢给体数：
  1.0
• 氢受体数：
  3.0

反应信息

• 作为反应物：
  描述：

  nickel(II) thiocyanate 、 2-acetylpyridine 1-oxide oxime 在 2,2-dimethoxypropane 作用下， 以 甲醇 为溶剂， 生成
  参考文献：
  名称：

  Metal complexes of 2-acetylpyridine n-oxide oxime

  摘要：

  DOI：

  10.1016/s0020-1693(00)87305-3

文献信息

• X-ray crystal structure of cis-[Co(pxo)2Br2] (pxo = 2-acetylpyridine 1-Oxide oxime). Bis-chelate cis-octahedral complexes M(pxo)2Hal2 (M = CoII, NiII; Hal = Cl, Br)
  作者：Godfrey C. Chiumia、Donald C. Craig、Imdadullah J. Phillips、David J. Phillips

  DOI：10.1016/s0020-1693(00)85144-0

  日期：1993.7

  The X-ray structure is reported for the complex cis-[Co(pxo)2Br2] (pxo=2-acetylpyridine 1-oxide oxime). The complex is monoclinic, P2(1)/c, a = 12.167(3), b = 10.179(3), c = 16.863(4) angstrom beta = 120.10(1)-degrees. The complex has a bis-chelate cis-octahedral structure, involving ON bonded pxo, and the corresponding nickel(II) complex is isostructural. These results contrast with a previous assignment of trans-structures for these complexes. Hydrogen bonding from oxime to bromide appears to stabilise the cis-structure. On the basis of spectroscopic and magnetic measurements, the analogous chloride complexes, M(pxo)2Cl2 (M = Co(II), Ni(II)), appear likewise to have cis-structures.
• X-ray structures of Cu(poph)Cl2, [Cu(pxo)Cl2]2 and [Cu(pxo)(pxo-H)Cl]2 (poph=2-pyridinecarboxaldehyde 1-oxide 2′-pyridinylhydrazone; pxo=2-acetylpyridine 1-oxide oxime). One monomeric structure and two N-oxide-bridged dimeric structures, involving multidentate pyridine N-oxide ligands
  作者：Fariati、Donald C. Craig、David J. Phillips

  DOI：10.1016/s0020-1693(97)05630-2

  日期：1998.2

  X-ray structures are reported for Cu(poph)Cl-2, Cu(pxo)Cl-2}(2) and the new complex [Cu(pxo)(pxo-H)Cl](2) (poph = 2-pyridinecarboxaldehyde I-oxide 2'-pyridinylhydrazone; pro = 2-acetylpyridine 1-oxide oxime), and correlated with magnetic properties. The complex Cu(poph)Cl-2 has a monomeric square pyramidal structure. The ligand coordinates to the basal plane as an ONN tridentate, and two coordinated chlorides complete the five-coordination. The apical chloride in each complex is hydrogen-bonded to the hydrazine hydrogen in an adjacent Cu(poph)Cl-2 species. This produces a centrosymmetric, hydrogen-bonded dimeric arrangement. The complex [Cu(pxo)Cl-2](2) has a dimeric N-oxide-bridged structure, involving square pyramidal coordination. Planar coordination is produced by an ON-bonded pro ligand and two chlorides, Each planar 'Cu(pxo)Cl-2' entity is linked by an apical out-of-plane N-oxide bridging bond to another equivalent entity. The new complexes Cu(pxo) (pxo-H)Hal (Hal = Cl, Br) are reported. The complex [Cu(pxo)(pxo-H)Cl](2) has a six-coordinate dimeric N-oxide-bridged structure. A new mode of coordination by pro has been identified in which neutral and deprotonated pro molecules are hydrogen-bonded together, producing planar N2O2 coordination, Each five-coordinate 'Cu(pxo)(pxo-H)Cl' entity is linked by an apical out-of-plane N-oxide bridging bond to another equivalent entity. (C) 1998 Elsevier Science S.A.
• N-Oxide-bridged complexes of cobalt(II) and nickel(II) with 2-acetylpyridine 1-oxide oxime (pro). X-ray crystal structure of the dimeric complex [Co(pxo)(CH3OH)Cl2]2
  作者：Godfrey C. Chiumia、David J. Phillips、A. David Rae

  DOI：10.1016/0020-1693(95)04707-g

  日期：1995.10

  The X-ray structure is reported for the dimeric complex [Co(pxo)(CH3OH)Cl-2](2) involving the bidentate N-oxide ligand 2-acetylpyridine 1-oxide oxime (pxo). The complex is monoclinic, C2/c, a=19.328(6), b=9.810(4), c=15.561(6) Angstrom, beta=126.94(2)degrees, Z=4. The centrosymmetric dimer is N-oxide-bridged. Each cobalt has a six-coordinate NO3Cl2 environment, produced by O,N coordination from one pxo, bridging N-oxide bonding from a second pro, terminal chlorides, and coordinated CH3OH. Attempted preparations of other 1:1 pro complexes, using a range of solvents, generally yielded some previously reported 2:1 complexes of the type M(pxo)(2)X(2). However, the complexes Ni(pxo)Cl-2 . H2O and Co(pxo)Cl-2 were also obtained, and, on the basis of magnetic, spectroscopic and X-ray powder diffraction measurements, the complexes appear to have six-coordinate structures, involving chloride-bridged chains of N-oxide-bridged dimer molecules.