Ag2I2(1-methylimidazoline-2(3H)-thione) | 848892-29-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: Ag2I2(1-methylimidazoline-2(3H)-thione)
• CAS: 848892-29-5
• 化学式: C₄H₆Ag₂I₂N₂S
• 分子量: 583.716
• InChiKey: WDVOESHNCZSKRJ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -4.91
• 重原子数：
  11.0
• 可旋转键数：
  1.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.25
• 拓扑面积：
  20.72
• 氢给体数：
  1.0
• 氢受体数：
  1.0

反应信息

• 作为产物：
  描述：

  silver(I) iodide 、 甲巯咪唑 、 diammonium oxotrithiotungstate(VI) 以 丙酮 为溶剂， 生成 Ag2I2(1-methylimidazoline-2(3H)-thione)
  参考文献：
  名称：

  Synthesis and characterization of the bimetallic polymers [MS4Ag2(Hmimt)2]n (where M=Mo or W, Hmimt=1-methylimidazoline-2(3H)-thione): crystal structures of [WS4Ag2(Hmimt)2]n and [Ag2I2(Hmimt)]n

  摘要：

  The title compounds were synthesized by the reactions of [NH4](2)[MS4] (M = Mo, W), AgI and Hmimt in acetone and characterized by IR, H-1 NMR and UV-Vis spectroscopy. The polymeric structure of [WS(4)Ag2(HmiMt)(2)](n) was determined by X-ray crystallography. In this compound, there are two distinctly different coordination modes for the silver atoms. One Ag atom has a pseudo-tetrahedral geometry with one terminal monodentate-S Hmimt, two mu(2)-S bridging Hmimt and one S atom of a monodentate WS4 unit. The other is surrounded by four sulfur atoms belonging in pairs to two WS4 fragments; the coordination geometry is distorted tetrahedral. The [WS4Ag2(HMiMt)(2)](n) polymer represents the first example of tetrathiometalate anions [MS4](2-) (M = Mo, W, or V) coordinated to another metal atom in a monodentate fashion. In both crystal structures determined the Hmimt ligands are present in the thione form, with coordination taking place via the sulfur atom only. (C) 2004 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2004.12.002