bis-isothiocyanato(1,5,9-triazacyclopentadecane)cobalt(II) | 63871-60-3

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: bis-isothiocyanato(1,5,9-triazacyclopentadecane)cobalt(II)
• 英文别名: cobalt(2+);1,5,9-triazacyclopentadecane;diisothiocyanate
• CAS: 63871-60-3
• 化学式: C₁₄H₂₇CoN₅S₂
• 分子量: 388.527
• InChiKey: ZMONVFXKBXICNM-UHFFFAOYSA-N

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：

  1,5,9-triazacyclopentadecane tris(hydrobromide) 、 水 、 sodium thiocyanide 、 cobalt(II) nitrate 在 NaOH 作用下， 以 甲醇 为溶剂， 生成 bis-isothiocyanato(1,5,9-triazacyclopentadecane)cobalt(II) 、 [Co(1,5,9-triazacyclopentadecane)(H2O)2][Co(isothiocyanato)4]
  参考文献：
  名称：

  Triazamacrocyclic complexes with 8- and 9-membered chelate rings. Preparation, structures and agostic interactions in complexes of 1,5,9-triazacyclotetradecane and 1,5,9-triazacyclopentadecane

  摘要：

  Cobalt(II), copper(II) and nickel(II) complexes of the ligands 1,5,9-triazacyclotetradecane (tatd) and 1,5,9-triazacyclopentadecane (tapd), which have 8- and 9-membered chelate rings, respectively, have been prepared and characterised. Crystal structures of [Ni(tatd)(NCS)(2)].H2O and [Co(tatd)(NCS)(2)] have been determined. The nickel(II) complex has a distorted square pyramidal geometry and the cobalt(II) complex has a distorted trigonal bipyramidal geometry, Agostic interactions between a hydrogen on the central carbon of the 8-membered chelate ring and the metal ion are observed in both complexes. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(01)00776-9