| 361385-08-2

• 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
• CAS: 361385-08-2
• 化学式: C₄H₄N₂*C₆N₄O₂*Cu*H₂O
• 分子量: 321.742
• InChiKey: RZEJHVXBQIIBGV-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -2.29
• 重原子数：
  20.0
• 可旋转键数：
  0.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  167.2
• 氢给体数：
  0.0
• 氢受体数：
  6.0

反应信息

• 作为产物：
  描述：

  吡嗪 、 copper(ll) sulfate pentahydrate 、 1,4,5,6-四氢-5,6-二氧-2,3-吡嗪二甲腈 、 水 以 乙醇 、 水 为溶剂， 生成
  参考文献：
  名称：

  Crystal structures and magnetic properties of novel coordination polymers with rectangular lattice constructed from pyrazine derivative

  摘要：

  The two-dimensional copper(II) coordination polymers {[Cu(tdpd)(pyz)](H2O)}(n) (1) and {[Cu(tdpd)(4,4'-bpy)](H2O)(3)}(n) (2) (H(2)tdpd = 1,4,5,6-tetrahydro-5,6-dioxo-2,3-pyrazinedicarbonitrile; pyz = pyrazine; 4,4'-bpy = 4,4'-bipyridine) have been synthesized and characterized. Compounds 1 and 2 consist of two-dimensional rectangular arrays of copper(II) ions and interstitial waters. Each copper ion has a distorted octahedral coordination. The magnetic susceptibility data of 1 over a range of 2-300 K were analyzed by using the Heisenberg linear chain theory with a mean field approximation. The obtained J and zJ' values are - 5.9 and - 1.1 cm(-1), respectively. (C) 2001 Elsevier Science Ltd. Ail rights reserved.

  DOI：

  10.1016/s0277-5387(01)00627-1