(N-salicylidene-DL-valinato)copper(II) | 38840-35-6

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: (N-salicylidene-DL-valinato)copper(II)
• CAS: 38840-35-6
• 化学式: C₁₂H₁₃NO₃*Cu
• 分子量: 282.786
• InChiKey: LCMFKMTXKPUSAS-RFVHGSKJSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -0.05
• 重原子数：
  17.0
• 可旋转键数：
  4.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.33
• 拓扑面积：
  75.55
• 氢给体数：
  0.0
• 氢受体数：
  4.0

反应信息

• 作为反应物：
  描述：

  (N-salicylidene-DL-valinato)copper(II) 、 potassium thioacyanate 以 乙醇 、 水 为溶剂， 生成 dipotassium di-μ-isothiocyanato-κ4N:S-bis[(N-salicylidene-DL-valinato-κ3O,N,O')cuprate(II)]
  参考文献：
  名称：

  Dipotassium di-μ-isothiocyanato-κ⁴N:S-bis[(N-salicylidene-DL-valinato-κ³O,N,O′)cuprate(II)]

  摘要：

  The title compound, K-2[Cu-2(NCS)(2)(C12H13NO3)(2)], consists of two K+ cations and (N-salicylidene-D-valinato) copper(II) and (N-salicylidene-L-valinato)copper(II) coordination units connected through three-atom thiocyanate (mu-NCS) bridges into a centrosymmetric dianion. The Cu-II atom adopts a square-pyramidal coordination, with three donor atoms of the tridentate Schiff base and one N atom of the bridging ligand (mu-NCS) in the basal plane. The axial position is occupied by the thiocyanate S atom of a symmetry-related ligand at an apical distance of 2.9332 (10) Angstrom. Coulombic interactions between six-coordinated K+ ions and the heteroatoms of neighbouring dimeric anions leads to the formation of one-dimensional chains of molecules parallel to [010]. The superposition of the normals of the pyramidal base planes in a direction close to [001] indicates possible pi-pi interactions between neighbouring units.

  DOI：

  10.1107/s0108270103006760