dichlorobis(2,2'-thiodiethanol)cobalt(II) | 35872-09-4

• 分子结构分类: 有机化合物
• 英文名称: dichlorobis(2,2'-thiodiethanol)cobalt(II)
• 英文别名: [Co(II)(2,2'-thiodiethanol)2Cl2]；dichlorocobalt;2-(2-hydroxyethylsulfanyl)ethanol
• CAS: 35872-09-4；74779-08-1
• 化学式: C₈H₂₀Cl₂CoO₄S₂
• 分子量: 374.276
• InChiKey: YOWOXMUCTCJBRR-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

• 作为产物：
  描述：

  硫二甘醇 、 cobalt(II) chloride hexahydrate 以 甲醇 为溶剂， 以87%的产率得到dichlorobis(2,2'-thiodiethanol)cobalt(II)
  参考文献：
  名称：

  Co(II) and Mn(II) comple×es of 2,2'-thiodiethanol: [Co^II(2,2'-thiodiethanol)₂Cl₂] and [Mn(2,2'-thiodiethanol)Cl₂]<I>_n</I>

  摘要：

  [Co(2,2'-thiodiethanol)(2)Cl-2] (1) and [Mn(2,2'-thiodiethanol)Cl-2](n) (2), have been synthesized and characterized structurally. Compound 1 is a six-coordinate, mononuclear Co(II) complex. The mononuclear units in the crystal lattice of 1 are linked together through intermolecular hydrogen bonds between hydroxy and chloride groups to form a three-dimensional array. Compound 2 consists of six-coordinate Mn(II) units that are linked by covalently bound 2,2'-thiodiethanol and chloride ligands to form an alternating one-dimensional chain, which is further linked together by inter-chain hydrogen bonds to form a two-dimensional sheet. Antiferromagnetic exchange is present in compound 2.

  DOI：

  10.1139/cjc-78-10-1289

文献信息

• Crystal and molecular structure of dichlorobis(2,2′-thiodiethanol)cobalt(II)
  作者：M.R Udupa、B Krebs、U Seyer

  DOI：10.1016/s0020-1693(00)88427-3

  日期：1980.1

  Abstract The crystal and molecular structure of dichlorobis(2,2′-thiodiethanol)cobalt(II) was determined from three-dimensional X-ray data collected by counter methods. The compound crystallizes as prismatic pink plates and belongs to space group P21/c. The unit cell dimensions are a = 6.786(2), b = 11.270(3), c = 10.331(3) A, β = 109.24(2)°, and Z = 2. The structure was solved by direct methods from

  摘要利用反方法收集的三维X射线数据，确定了二氯双（2,2'-硫代二乙醇）钴（II）的晶体和分子结构。该化合物结晶为棱柱形粉红色板，属于空间群P21 / c。晶胞尺寸为a = 6.786（2），b = 11.270（3），c = 10.331（3）A，β= 109.24（2）°和Z =2。通过直接方法从1496个反射中解析了结构并以最小二乘法精炼为R值为0.028。该络合物是中心对称的，每个硫代二乙醇分子通过硫（CoS2.508 A）和氧原子（CoO2.066 A）与钴键合，形成一个五元螯合环。钴周围的六种配位是通过两个占据顶端位置的氯原子相互转化而完成的（CoCl2.423 A）。