Cu(thiosemicarbazide)2(SCN)2 | 1361309-54-7

• 分子结构分类: 有机化合物 - 有机硫化合物
• 英文名称: Cu(thiosemicarbazide)2(SCN)2
• 英文别名: Cu(TSC)2(SCN)2；copper;aminothiourea;dithiocyanate
• CAS: 1361309-54-7
• 化学式: C₄H₁₀CuN₈S₄
• 分子量: 361.987
• InChiKey: HKTOKQDRKMTQQK-UHFFFAOYSA-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：

  copper(II) cysteinate 、 氨基硫脲 以 水 为溶剂， 生成 Cu(thiosemicarbazide)2(SCN)2
  参考文献：
  名称：

  Reaction of copper(II) cysteinate with thiosemicarbazide: Crystal structure of a complex of copper(II) thiocyanate with thiosemicarbazide

  摘要：

  The reaction of copper(II) cysteinate with thiosemicarbazide (TSC) in water was found to yield complex of copper(II) thiocyanate of the [Cu(TSC)(2)(SCN)(2)] composition, whose crystal structure was determined by X-ray crystallography. Crystals of the complex are triclinic with a = 6.040 , b = 7.112 , c = 8.276 angstrom , alpha = 91.34 degrees, beta = 101.72A degrees, gamma = 114.83A degrees, Z = 2, space group P. Structural units of the complex are [Cu(TSC)(2)](2+) centrosymmetric cations and (SCN)- anions linked by hydrogen bonds (HB), as well as by electrostatic and pi-pi stacking interactions. The coordination polyhedron of Cu atoms is a square completed to bipyramid; the bonds Cu(1)- N(3), Cu(1)- S(1), and Cu(1)- S(2) are 2.002 angstrom, 2.303 angstrom, and 3.015 angstrom, respectively.

  DOI：

  10.1134/s0036023612020027