trans-bis(trans-cyclohexane-1,2-diamine)bis(6-methyl-2,2,4-trioxo-3,4-dihydro-1,2,3-oxayhiazin-3-ido)copper(II) | 1266491-32-0

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: trans-bis(trans-cyclohexane-1,2-diamine)bis(6-methyl-2,2,4-trioxo-3,4-dihydro-1,2,3-oxayhiazin-3-ido)copper(II)
• CAS: 1266491-32-0
• 化学式: C₂₀H₃₆CuN₆O₈S₂
• 分子量: 616.219
• InChiKey: KLKRGOGKCWCTFK-UPLIZVPESA-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：

  bis(acesulfamato-κ(2)O(4),N)-bis(3-methylpyridine)copper(II)(H2O)4 、 1,2-二氨基环己烷 以 乙醇 为溶剂， 以85%的产率得到trans-bis(trans-cyclohexane-1,2-diamine)bis(6-methyl-2,2,4-trioxo-3,4-dihydro-1,2,3-oxayhiazin-3-ido)copper(II)
  参考文献：
  名称：

  Structural properties oftrans-cyclohexane-1,2-diamine complexes of copper(II) and zinc(II) acesulfamates

  摘要：

  The title compounds, trans-bis(trans-cyclohexane-1,2-diamine)bis(6-methyl-2,2,4-trioxo-3,4-dihydro-1,2,3-oxathiazin-3-ido)copper(II), [Cu(C4H4NO4S)(2)(C6H14N2)(2)], (I), and trans-diaquabis(cyclohexane-1,2-diamine)zinc(II) 6-methyl-2,2,4-trioxo-3,4-dihydro-1,2,3-oxathiazin-3-ide dihydrate, [Zn(C6H14N2)(2)(H2O)(2)](C4H4NO4S)(2)center dot 2H(2)O, (II), are two-dimensional hydrogen-bonded supramolecular complexes. In (I), the CuII ion resides on a centre of symmetry in a neutral complex, in a tetragonally distorted octahedral coordination environment comprising four amine N atoms from cyclohexane-1,2-diamine ligands and two N atoms of two acesulfamate ligands. Intermolecular N-H...O and C-H...O hydrogen bonds produce R (2) 2(12) motif rings which lead to two-dimensional polymeric networks. In contrast, the ZnII ion in (II) resides on a centre of symmetry in a complex dication with a less distorted octahedral coordination environment comprising four amine N atoms from cyclohexane-1,2-diamine ligands and two O atoms from aqua ligands. In (II), an extensive two-dimensional network of N-H...O, O-H...O and C-H...O hydrogen bonds includes R (2) 1(6) and R (4) 4(16) motif rings.

  DOI：

  10.1107/s0108270110037066