di-μ-chloro-bis[chloro(6,7,8,9,10,11,18,19-octahydro-5H,17H-dibenzo[f,o][1,5,9,13]-dioxadiazacyclohexadecane)copper(II)] | 193750-34-4

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: di-μ-chloro-bis[chloro(6,7,8,9,10,11,18,19-octahydro-5H,17H-dibenzo[f,o][1,5,9,13]-dioxadiazacyclohexadecane)copper(II)]
• 英文别名: dicopper;2,6-dioxa-14,18-diazatricyclo[18.4.0.07,12]tetracosa-1(24),7,9,11,20,22-hexaene;tetrachloride
• CAS: 193750-34-4
• 化学式: C₄₀H₅₂Cl₄Cu₂N₄O₄
• 分子量: 921.781
• InChiKey: MDHWGJHSNNGMBU-UHFFFAOYSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  -5.75
• 重原子数：
  54
• 可旋转键数：
  0
• 环数：
  6.0
• sp3杂化的碳原子比例：
  0.4
• 拓扑面积：
  85
• 氢给体数：
  4
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  2,6-dioxa-14,18-diazatricyclo[18.4.0.0^7,12]-tetracosa-7,9,11,20,22,24(1)-hexaene 、 copper dichloride 以 甲醇 为溶剂， 生成 di-μ-chloro-bis[chloro(6,7,8,9,10,11,18,19-octahydro-5H,17H-dibenzo[f,o][1,5,9,13]-dioxadiazacyclohexadecane)copper(II)]
  参考文献：
  名称：

  Di-μ-chloro-bis[chloro(6,7,8,9,10,11,18,19-octahydro-5H,17H-dibenzo[f,o][1,5,9,13]dioxadiazacyclohexadecane)copper(II)]

  摘要：

  The title complex, [CuCl2(C20H26N2O2)](2), has a centrosymmetrical dimeric structure linked by a pair of chloride bridges. Each Cu atom has the five-coordinated geometry of a distorted square pyramid. The axial sites are occupied by the bridging chlorides which are bound asymmetrically to Cu at distances of 2.8288(14) and 2.2963 (12) Angstrom. The Cu...Cu distance of 3.4294(13) Angstrom is too long to suggest a Cu-Cu bond in the dimeric unit.

  DOI：

  10.1107/s0108270197004496