bis(diethyldithiocarbamato)piperidinezinc(II) | 97436-90-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: bis(diethyldithiocarbamato)piperidinezinc(II)
• 英文别名: bis(dimethyldithiocarbamato)piperidinezinc
• CAS: 97436-90-3
• 化学式: C₁₅H₃₁N₃S₄Zn
• 分子量: 447.085
• InChiKey: MGVAOXCTRSRRPA-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为反应物：
  描述：

  吗啉 、 bis(diethyldithiocarbamato)piperidinezinc(II) 生成 bis(diethyldithiocarbamato)piperidinezinc(II), adduct with morpholine
  参考文献：
  名称：

  摘要：

  Crystal adducts of diethyldithiocarbamate complexes of zinc(II) and copper(II) with piperidine (Pip) were synthesized, and their solvated forms with the outer-sphere molecules of benzene, pyridine (Py), and morpholine (Mf) were obtained. Adducts with composition [M(Pip)(Edtc)(2)] . L (L = Py, Mf) were shown to he able, in principle, to give solvated isomers IM(L)(Edtc)(2)] . Pip with the Pip molecule arranged in the outer sphere. The composition, structure, and properties of the obtained adducts were studied by EPR, high-resolution solid-state C-13, N-15 NMR spectroscopy. Solvation of all three adducts with Pip, Mf, and Py was found to result in a substantial increase in the contribution of the trigonal-bipyramidal component to the geometry of a copper coordination pentahedron. In addition, for adducts with Mf and Py, a structural unification of two isomeric forms was observed at the molecular level to yield a qualitatively new (rather than intermediate) state. It was shown that in all solvated forms of the copper(II) adducts, the metal polyhedron is mainly a trigonal bipyramid, while the square-pyramidal contribution is insignificant. Results of(C-13, N-15) NMR studies revealed a structural inequivalence of the Edtc(-) ligands in the zinc adducts under investigation.

  DOI：

  10.1023/a:1009590026768
• 作为产物：
  描述：

  哌啶 、 zinc diethyldithiocarbamate 以 甲苯 为溶剂， 以85%的产率得到bis(diethyldithiocarbamato)piperidinezinc(II)
  参考文献：
  名称：

  Adducts of zinc and copper(II) dimethyland diethyldithiocarbamates with piperidine: Synthesis, EPR, solid-state natural abundance 13C and 15N CP/MAS NMR and single-crystal X-ray diffraction studies

  摘要：

  Crystalline adducts of zinc and copper(II) dimethyl-and diethyldithiocarbamates with piperidine (Pip) of the general formula [M{NH(CH2)(5)}(S2CNR2)(2)] (M = Zn and Cu-63; R = CH3 and C2H5) were obtained. Their structures and spectroscopic characteristics were studied by X-ray diffraction analysis, EPR spectroscopy, and solid-state natural abundance C-13 and N-15 MAS NMR spectroscopy. The most substantial differences between the adducts of the formula [Zn{NH(CH2)(5)}(S2CNR2)(2)] (R = CH3 and C2H5) were found in the spatial orientations of the coordinated heterocycles and the geometries of the zinc polyhedra. The individual character of the EPR spectra of magnetically diluted isotope-substituted copper(II) adducts was determined by computerassisted modeling. The adducts of copper(II) and zinc dimethyldithiocarbamates proved to exist as two isomers. The coordination polyhedra of copper(II) and zinc are intermediate between a tetragonal pyramid (TP) and a trigonal bipyramid (TBP). The contributions from the TBP/TP components to the coordination polyhedra were quantitatively estimated from X-ray diffraction data. The C-13 and N-15 NMR signals were assigned to the positions of the atoms of the =NC(S)S- groups in the resolved (according to X-ray diffraction data) molecular structures of the adducts.

  DOI：

  10.1134/s1070328408090108