| 259143-68-5

• CAS: 259143-68-5
• 化学式: C₅H₁₇Br₂CoN₃O*ClO₄*H₂O
• 分子量: 471.477
• InChiKey: MRIPCSXEESJTPC-UHFFFAOYSA-K

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：

  、 sodium perchlorate 、 水 以 水 为溶剂， 生成
  参考文献：
  名称：

  The phenomenon of conglomerate crystallization

  摘要：

  The X-ray structure analysis of mer-trans-[Co(aepn)Cl-2(OH2)](ClO4). H2O (1) (aepn =N-(2-aminoethyl)-1,3 -propanediamine) reveals that the compound crystallizes in an enantiomorphic space group P2(1)2(1)2(1) implying a spontaneous resolution of its racemic solution, known as conglomerate crystallization. Substitutions of the two chloride ligands with bromides result in the isostructural compound mer-trans-[Co(aepn)Br-2(OH2)](ClO4). H2O (2), which also crystallizes as a conglomerate in the space group P2(1)2(1)2(1). Meanwhile, a substitution of the coordinated OH2 of 1 with NH3 gives mer-trans-[Co(aepn)Cl-2(NH3)](ClO4) (3), which crystallizes as a simple racemate in P2(1)/n space group. When N-(3-aminopropyl)-1,3-propanediamine (dpt) is used instead of aepn in the preparation of 1, it gives racemic crystals of mer-trans-[Co(dpt)Cl-2(OH2)](ClO4) (4) whose molecular packing pattern is identical to that of 3. fn the conglomerate structures, the protons of coordinated water ligand are strongly hydrogen-bonded to the oxygen of a water of crystallization to form a spiral packing structures. In the packing structures of 3 and 4, two molecules of opposite chirality are brought together around a crystallographic center of inversion by hydrogen bonds of the protons of the corresponding tridentate amine ligand with oxygens of perchlorate anion. (C) 1999 Elsevier Science Ltd. All rights reserved.

  DOI：

  10.1016/s0277-5387(99)00304-6