poly[μ2-chloro-μ2-1,4-oxathiane-κ2S:S-copper(I)] | 956278-52-7

• 分子结构分类: 有机化合物 - 有机氧化合物
• 英文名称: poly[μ2-chloro-μ2-1,4-oxathiane-κ2S:S-copper(I)]
• CAS: 956278-52-7
• 化学式: C₄H₈OS*Cl*Cu
• 分子量: 203.172
• InChiKey: DGCXXLRILKFGIS-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -2.25
• 重原子数：
  8.0
• 可旋转键数：
  0.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  9.23
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为产物：
  描述：

  1,4-噻烷 、 copper(l) chloride 以 苯 为溶剂， 生成 poly[μ2-chloro-μ2-1,4-oxathiane-κ2S:S-copper(I)]
  参考文献：
  名称：

  Poly[μ₂-chloro-μ₂-1,4-oxathiane-κ²S:S-copper(I)]

  摘要：

  The title complex, [CuCl(C4H8OS)](n), contains infinite spiral (CuS)(n) chains linked by bridging Cl atoms into layers. The Cl atoms do not form polymeric fragments with Cu-I, but combine into isolated centrosymmetric Cu2Cl2 units. The compound is non-isomorphous with the Br-containing analogue, which contains Cu8S8 rings linked by Br atoms into chains. The O atom of the 1,4-oxathiane molecule does not realize its coordination abilities in the known copper(I)-halide complexes, while in copper(II)-halide complexes, oxathiane is coordinated via the S and O atoms. This falls into a pattern of the preferred interactions, viz. weak acid (Cu-I atom) with weak base ( S atom) and harder acid (Cu-II atom) with harder base ( O atom).

  DOI：

  10.1107/s0108270106054047