[Co(1-(4'-pyridyl)pyridin-4-one)2(water)2(thiocyanate)2]*[Co(1-(4'-pyridyl)pyridin-4-one)2(methanol)2(thiocyanate)2] | 587837-85-2

• 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(1-(4'-pyridyl)pyridin-4-one)2(water)2(thiocyanate)2]*[Co(1-(4'-pyridyl)pyridin-4-one)2(methanol)2(thiocyanate)2]
• CAS: 587837-85-2
• 化学式: C₂₂H₂₀CoN₆O₄S₂*C₂₄H₂₄CoN₆O₄S₂
• 分子量: 1139.18
• InChiKey: QZXMVFLXQCQCEP-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：

  甲醇 、 1-(4'-pyridyl)-4-pyridone 、 cobalt(II) thiocyanate 以 甲醇 、 氯仿 为溶剂， 生成 [Co(1-(4'-pyridyl)pyridin-4-one)2(water)2(thiocyanate)2]*[Co(1-(4'-pyridyl)pyridin-4-one)2(methanol)2(thiocyanate)2]
  参考文献：
  名称：

  Diverse polymeric metal complexes formed by the ambidentate ligand 1-(4′-pyridyl)pyridin-4-one

  摘要：

  The preparations are reported of a range of metal complexes of the 'extended reach' ambidentate ligand 1-(4'-pyridyl)pyridin-4-one (pypd). four of which have been shown by X-ray studies to have polymeric network structures. The compound [Cu(pypd)(2)(H2O)(4)](NO3)(2).4H(2)O (1) forms sheets comprising [Cu(pypd)(2)(H2O)(4)] units linked by a complex set of hydrogen bonds. Crystals of stoichiometry Co(pypd)(2)(NCS)(2).MeOH.H2O (2) contain a 1:1 co-crystallisation of [Co(pypd)(2)(H2O)(2)(NCS)(2)] and [Co(pypd)(2)(MeOH)(2)(NCS)(2)] each forming hydrogen bonded chains. which are linked into sheets by further hydrogen bonds. A combination of hydrogen bonding and pi-pi stacking between pyridyl and pyridone rings in Nd(pypd)(2)(H2O)(2)(NO3)(3) (3) also generates a sheet structure. The compound [Cd(pypd)(3)](ClO4)(2).3H(2)O (4) forms a complex 3D network. (C) 2002 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(02)01473-1