[(pyridine)bis(diethyldithiocarbamato)zinc(II)] | 29537-71-1

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡咯
• 英文名称: [(pyridine)bis(diethyldithiocarbamato)zinc(II)]
• 英文别名: bis(diethyldithiocarbamato)pyridine zinc(II)；bis(diethyldithiocarbamato)pyridinezinc；zinc;N,N-diethylcarbamodithioate;pyridine
• CAS: 29537-71-1
• 化学式: C₁₅H₂₅N₃S₄Zn
• 分子量: 441.038
• InChiKey: TYHOIHDNOKBCEF-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

• 作为反应物：
  描述：

  [(pyridine)bis(diethyldithiocarbamato)zinc(II)] 以 neat (no solvent) 为溶剂， 生成 [Zn(S₂CNEt₂)₂]₂
  参考文献：
  名称：

  Isomorphism of bis(diethyldithiocarbamato)zinc(II) adduct with pyridine, [Zn(Py)(EDtc)2]: hysteresis in the reaction of the adduct formation

  摘要：

  The structure of the polycrystalline adduct bis(diethyldithiocarbamato)-pyridine zinc(II) depends on the pathway of physicochemical conditions during the preparation procedure, as was revealed by solid state N-15 CP/MAS spectroscopy in good correlation with known single crystal X-ray diffraction structures of this adduct. Two isomorphs of the adduct, namely alpha-[Zn(Py)(S2CNEt2)(2)] and beta-[Zn(Py)(S2CNEt2)(2)], are the two molecules in the asymmetric unit of a single crystal (or polycrystalline) sample that can be obtained by recrystallization from toluene of the equimolar solution of the initial diethyldithiocarbamate zinc(II) complex and pyridine. The third isomorph, gamma-[Zn(Py)(S2CNEt2)(2)], can be obtained by recrystallization from pure pyridine of the diethyldithiocarbamate zinc(II) complex, or by its equimolar absorption of pyridine, or by desorption of pyridine from the clathrated adduct, [Zn(Py)(S2CNEt2)(2)]Py-.. Finally, the gamma-[Zn(Py)(S2CNEt2)(2)] isomorph recrystallizes from the melt into alpha/beta-isomorphs of the adduct. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0277-5387(02)01274-3
• 作为产物：
  描述：

  [(pyridine)bis(diethyldithiocarbamato)zinc(II)]*pyridine 以 neat (no solvent) 为溶剂， 生成 [(pyridine)bis(diethyldithiocarbamato)zinc(II)]
  参考文献：
  名称：

  Isomorphism of bis(diethyldithiocarbamato)zinc(II) adduct with pyridine, [Zn(Py)(EDtc)2]: hysteresis in the reaction of the adduct formation

  摘要：

  The structure of the polycrystalline adduct bis(diethyldithiocarbamato)-pyridine zinc(II) depends on the pathway of physicochemical conditions during the preparation procedure, as was revealed by solid state N-15 CP/MAS spectroscopy in good correlation with known single crystal X-ray diffraction structures of this adduct. Two isomorphs of the adduct, namely alpha-[Zn(Py)(S2CNEt2)(2)] and beta-[Zn(Py)(S2CNEt2)(2)], are the two molecules in the asymmetric unit of a single crystal (or polycrystalline) sample that can be obtained by recrystallization from toluene of the equimolar solution of the initial diethyldithiocarbamate zinc(II) complex and pyridine. The third isomorph, gamma-[Zn(Py)(S2CNEt2)(2)], can be obtained by recrystallization from pure pyridine of the diethyldithiocarbamate zinc(II) complex, or by its equimolar absorption of pyridine, or by desorption of pyridine from the clathrated adduct, [Zn(Py)(S2CNEt2)(2)]Py-.. Finally, the gamma-[Zn(Py)(S2CNEt2)(2)] isomorph recrystallizes from the melt into alpha/beta-isomorphs of the adduct. (C) 2002 Published by Elsevier Science Ltd.

  DOI：

  10.1016/s0277-5387(02)01274-3

文献信息

• Rotation isomers of bis(diethyldithiocarbamato)zinc(II) adduct with pyridine, Zn(EDtc)2·Py: ESR, 13C and 15N CP/MAS NMR and single-crystal X-ray diffraction studies
  作者：Alexander V. Ivanov、Valentina I. Mitrofanova、Mikael Kritikos、Oleg N. Antzutkin

  DOI：10.1016/s0277-5387(99)00081-9

  日期：1999.6

  The adduct of bis(diethyldithiocarbamato)zinc(II) with pyridine, Zn(EDtc)(2). Py, was prepared and studied by means of ESR (Cu-63(2+) and Cu-65(2+) were used as spin labels), solid-state natural abundance C-13 and N-15 CP/MAS NMR spectroscopy and single-crystal X-ray diffraction data analysis. Two rotation isomers of the adduct were unambiguously determined by these three independent methods. It was found that these two isomers have different orientations of the pyridine ring about the N(Py)-Zn axis. The acute angles of the plane of the pyridine molecules relative to the most weak Zn-S bond are equal to 45.6 and 52.7 degrees in the different isomers. Adduct molecules adopt a geometry which is intermediate between the square pyramidal (C-4v) and the trigonal bipyramidal (D-3h). All ESR and NMR resonances of Zn(EDtc)(2). Py were assigned. (C) 1999 Elsevier Science Ltd. All rights reserved.
• Ivanov, A. V.; Forshling, V.; Kritikos, M., Russian Journal of Coordination Chemistry, 2000, vol. 26, p. 52 - 62
  作者：Ivanov, A. V.、Forshling, V.、Kritikos, M.、Antsutkin, O. N.

  DOI：——

  日期：——
• Chalcogenolato-di-thiocarbamato-complexes of zinc: The X-ray single crystal structures of pyridine adducts
  作者：M Azad Malik、M Motevalli、Paul O'Brien

  DOI：10.1016/s0277-5387(98)00427-6

  日期：1999.3
• Ivanov; Kritikos; Antsutkin, Russian Journal of Inorganic Chemistry, 1999, vol. 44, # 10, p. 1605 - 1614
  作者：Ivanov、Kritikos、Antsutkin、Lund

  DOI：——

  日期：——
• Ivanov; Novikova; Antzutkin, Russian Journal of Inorganic Chemistry, 2001, vol. 46, # 12, p. 1832 - 1838
  作者：Ivanov、Novikova、Antzutkin、Forsling

  DOI：——

  日期：——