tetra-n-butylammonium 5-(3-pyridyl)-1,3,4-oxadiazole-2-thiolate | 1122520-18-6

• 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: tetra-n-butylammonium 5-(3-pyridyl)-1,3,4-oxadiazole-2-thiolate
• CAS: 1122520-18-6
• 化学式: C₇H₄N₃OS*C₁₆H₃₆N
• 分子量: 420.663
• InChiKey: YQIBFVBIEBSDCM-UHFFFAOYSA-M

物化性质

• 熔点：
  70 °C

计算性质

• 辛醇/水分配系数(LogP)：
  6.04
• 重原子数：
  29.0
• 可旋转键数：
  13.0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.7
• 拓扑面积：
  51.81
• 氢给体数：
  0.0
• 氢受体数：
  5.0

反应信息

• 作为反应物：
  描述：

  tetra-n-butylammonium 5-(3-pyridyl)-1,3,4-oxadiazole-2-thiolate 、 manganese (II) acetate tetrahydrate 以 甲醇 、 乙醇 为溶剂， 生成 [Mn(5-(3-pyridyl)-1,3,4-oxadiazole-2-thiolate)2(H2O)2][tetra-n-butylammonium][5-(3-pyridyl)-1,3,4-oxadiazole-2-thiolate]
  参考文献：
  名称：

  Spectroscopic and structural studies of the 2D Mn(II) coordination polymer from a bridging Noxa, Npy bidentate ligand; tetra-n-butylammonium[5-(3-pyridyl)-1,3,4-oxadiazole-2-thiolate]

  摘要：

  A coordination polymer ([Mn(3-pyt)(2)(H2O)(2)][N(n-Bu)(4)](+)[3-pyt](-)}(n) (3) has been synthesized from the reaction of tetra-n-butylammonium[5-(3-pyridyl)-1,3,4-oxadiazole-2-thiolate] {[N(n-Bu)(4)](+)[3-pyt](-)} and Mn(OAc)(2) center dot 4H(2)O. The ligand and the Mn(II) complex 3 have been characterized by elemental analyses, IR, H-1 and C-13 NMR spectroscopy, in addition 3 has also been studied crystallographically. The single crystal X-ray structure of the 3 shows that the ligand is bonded to Mn(II) via its pyridyl and oxadiazole nitrogen atoms. This bonding pattern connects the Mn(II) centres to afford an uniform two dimensional coordination frame work where the [Mn(3-pyt)(2)(H2O)(2)](n) molecules are stacked in a parallel layers. The overall arrangement of molecules in crystal lattice results in open channels in which the enclosed tetra-n-butylammonium cations are stabilized by anionic oxadiazole molecules through N+center dot center dot center dot S- ionic interactions. (C) 2008 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.10.008