[Co(SCN)4(piperazine-H)2] C12H22CoN8S4, I | 855754-32-4

• 分子结构分类: 有机化合物 - 有机氮化合物
• 英文名称: [Co(SCN)4(piperazine-H)2] C12H22CoN8S4, I
• 英文别名: [Co(SCN)4(piperazine-H)2]
• CAS: 855754-32-4
• 化学式: C₁₂H₂₂CoN₈S₄
• 分子量: 465.617
• InChiKey: BQGCPMCDXIEPIQ-UHFFFAOYSA-P

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：

  哌嗪 、 硫氰酸铵 、 cobalt(II) nitrate hexahydrate 在 aq. HCl 作用下， 以 甲醇 、 水 为溶剂， 以20%的产率得到[Co(SCN)4(piperazine-H)2] C12H22CoN8S4, I
  参考文献：
  名称：

  Syntheses of fluorescent thiocyanate supramolecular compounds with unusual two-dimensional structures

  摘要：

  Three novel thiocyanate supramolecular compounds have been synthesized and characterized by X-ray diffraction and fluorescent spectra. Compound [pipH](2)[Co(NCS)(4)] (pip = ppiperazine) 1 possesses a two-dimensional layer connected by the combination of N-H center dot center dot center dot N hydrogen bonds and weak S center dot center dot center dot S contacts. Under the same conditions, using nickel salt instead of cobalt salt as a starting material, we obtained a different two-dimensional supramolecular layer [pipH](2)[Ni(NCS)(4)] 2 connected by unusual N-H center dot center dot center dot S hydrogen bonds and weak S center dot center dot center dot S contacts. In order to observe the influence of the dimension of ligand on the self-assembly structure, dabco was used for substituting pip, and compound [dabcoH](2)[Ni(NCS)(4)] (dabco = 1,4-Diazabicyclo[2.2.2] octane) 3 was gained, which constructed two-dimensional, highly wavy network with hourglass-shaped cavities only through N-H center dot center dot center dot S hydrogen bonds. (c) 2005 Elsevier Inc. All rights reserved.

  DOI：

  10.1016/j.jssc.2005.01.027

文献信息

• Polymorphism in [Co(SCN)4(ppz-H)2] (ppz, piperazine)
  作者：Subal Chandra Manna、Atish Dipankar Jana、Michael G.B. Drew、Golam Mostafa、Nirmalendu Ray Chaudhuri

  DOI：10.1016/j.poly.2007.12.016

  日期：2008.3

  A one-pot reaction of [Co(NO3)(2)center dot 6H(2)O and piperazine] with NH4SCN/NaSCN in water-methanol (1:1) solvent leads to two polymorphs of [Co(SCN)(4)(ppz-H)(2)] (ppz, piperazine) (I and II). X-ray crystal structure reveals both have same space group but the differences in the alignment of pendant SCN- leads to two polymorphs. In I, trifurcated N-H...S hydrogen bonding plays a prominent role in crystal packing leading to S...S interactions between SCN fragments but in II, no such trifurcation arises and thereby the crystal packing occurs through hydrogen bonding interactions only leading to a distinctly different network topology. TG/DSC and FT-IR study reveal they are enantiotropically related. (c) 2007 Elsevier Ltd. All rights reserved.