[Co(phenyl-(5-pyridin-4-yl[1,3,4]thiadiazol-2-yl)-amine)(SO4)(H2O)4]*H2O | 1262034-88-7

• 分子结构分类: 有机化合物 - 有机酸及其衍生物
• 英文名称: [Co(phenyl-(5-pyridin-4-yl[1,3,4]thiadiazol-2-yl)-amine)(SO4)(H2O)4]*H2O
• CAS: 1262034-88-7
• 化学式: C₁₃H₁₈CoN₄O₈S₂*H₂O
• 分子量: 499.448
• InChiKey: XKODANBDHFOFTR-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：

  硫酸钴水合物 、 N-phenyl-5-(pyridin-4-yl)-1,3,4-thiadiazol-2-amine 以 甲醇 为溶剂， 以55%的产率得到[Co(phenyl-(5-pyridin-4-yl[1,3,4]thiadiazol-2-yl)-amine)(SO4)(H2O)4]*H2O
  参考文献：
  名称：

  Syntheses, spectral and crystallographic studies of novel monometallic Co(II) and Zn(II) complexes with phenyl-(5-pyridin-4-yl[1,3,4]thiadiazol-2-yl)-amine

  摘要：

  Two novel monometallic complexes [Co(ppt)(SO4)(H2O)(4)]center dot H2O (1) and [Zn(ppt)(2)(CH3COO)(2)(H2O)(2)]center dot(2) of ppt = phenyl-(5-pyridin-4-yl[1,3,4]thiadiazol-2-yl)-amine have been synthesized and their structures investigated by elemental analyses, IR. UV-Vis., magnetic susceptibility and single crystal X-ray. The geometry of both complexes are distorted octahedral. The pi-pi and C-H center dot center dot center dot pi interactions play important role along with hydrogen bonding to form host-guest cavity. The hydrogen-bonding interactions between adjacent layers extend these structures to overall 3D supramolecular architectures. (C) 2010 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.molstruc.2010.09.012