[Co(II)(2,5-bis(4-pyridyl)-1,3,4-oxadiazole)(NCS)2(H2O)2] | 433940-39-7

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [Co(II)(2,5-bis(4-pyridyl)-1,3,4-oxadiazole)(NCS)2(H2O)2]
• 英文别名: cobalt(2+);2,5-dipyridin-4-yl-1,3,4-oxadiazole;diisothiocyanate;dihydrate
• CAS: 433940-39-7
• 化学式: C₂₆H₂₀CoN₁₀O₄S₂
• 分子量: 659.635
• InChiKey: OTXRLTBCMNESTA-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：

  cobalt(II) chloride hexahydrate 、 硫氰酸铵 、 2,5-二(4-吡啶基)-1,3,4-?二唑 以 氯仿 、 乙腈 为溶剂， 生成 [Co(II)(2,5-bis(4-pyridyl)-1,3,4-oxadiazole)(NCS)2(H2O)2]
  参考文献：
  名称：

  [M(L)2(NCS)2(H2O)2] (M=MnII or CoII and L=2,5-bis(4-pyridyl)-1,3,4-oxadiazole): three-dimensional extended networks built from hydrogen bonds and π–π stacking interaction—syntheses and crystal structures

  摘要：

  Two three-dimensional (3D) supramolecular compounds of the general formula [M(L)(2)(NCS)(2)(H2O)(2)], where M is Mn-II or Co-II and L is 2,5-bis(4-pyridyl)-1,3,4-oxadiazole), have been synthesized and structurally determined by X-ray diffraction analyses. The crystal structures of both complexes reveal that they are isomorphic neutral molecules and the metal ions are at the center of symmetry. Each metal center is six-coordinated and the MN4O2 coordination sphere can be considered as an octahedron. The most striking feature of both complexes resides in the formation of a 3D network through hydrogen bonds and pi-pi stacking co-effection. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(01)00955-3