N-((methylthio)phenylmethylene)methanamine N-oxide | 105183-94-6

• 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: N-((methylthio)phenylmethylene)methanamine N-oxide
• 英文别名: N-methyl-1-methylsulfanyl-1-phenylmethanimine oxide
• CAS: 105183-94-6
• 化学式: C₉H₁₁NOS
• 分子量: 181.258
• InChiKey: GWZKIUIANMYICW-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  1.9
• 重原子数：
  12
• 可旋转键数：
  2
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.22
• 拓扑面积：
  54
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为反应物：
  描述：

  bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato)nickel(II) hydrate 、 N-((methylthio)phenylmethylene)methanamine N-oxide 以 正庚烷 、 二氯甲烷 为溶剂， 生成 bis[μ-(N-((methylthio)phenylmethylene)methanamine N-oxide)-O:O]bis[bis(1,1,1,5,5,5-hexafluoropentane-2,4-dionato-O,O')nickel(II)]
  参考文献：
  名称：

  Bis(μ-{N-[(methylthio)phenylmethylene]methanamineN-oxide}-O:O)bis[bis(1,1,1,5,5,5,-hexafluoropentane-2,4-dionato-O, 4-dionato-O,O')nickel(II)]

  摘要：

  The title compound, [Ni-2(C5HF6O2)(4)(C9H11NOS)(2)], crystallizes as a centrosymmetric dimer containing two Ni(hfac)(2) moieties bridged by two nitrone ligands (hfac is the 1,1,1,5,5,5-hexafluoropentane-2,4-dionate anion), The Ni ... Ni distance is 3.2904(5) Angstrom, with Ni-O-nitrone distances of 2.0776 (12) and 2.0974 (12) Angstrom. The average Ni-O-hfac distance is 2.022 (16) Angstrom.

  DOI：

  10.1107/s0108270198000730

文献信息

• Bis(μ-{<i>N</i>-[(methylthio)phenylmethylene]methanamine<i>N</i>-oxide}-<i>O</i>:<i>O</i>)bis[bis(1,1,1,5,5,5,-hexafluoropentane-2,4-dionato-<i>O</i>, 4-dionato-<i>O</i>,<i>O</i>')nickel(II)]
  作者：M. H. Dickman、J. P. Ward、F. A. Villamena、D. R. Crist

  DOI：10.1107/s0108270198000730

  日期：1998.7.15

  The title compound, [Ni-2(C5HF6O2)(4)(C9H11NOS)(2)], crystallizes as a centrosymmetric dimer containing two Ni(hfac)(2) moieties bridged by two nitrone ligands (hfac is the 1,1,1,5,5,5-hexafluoropentane-2,4-dionate anion), The Ni ... Ni distance is 3.2904(5) Angstrom, with Ni-O-nitrone distances of 2.0776 (12) and 2.0974 (12) Angstrom. The average Ni-O-hfac distance is 2.022 (16) Angstrom.