[Zn(nicotinate)(N3)]n | 855299-27-3

• 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: [Zn(nicotinate)(N3)]n
• 英文别名: [Zn(nic)(N3)]n
• CAS: 855299-27-3
• 化学式: C₆H₄NO₂*N₃*Zn
• 分子量: 229.513
• InChiKey: QPYTZWKJIHVRSE-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.31
• 重原子数：
  13.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  111.72
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  烟酸 、 zinc(II) sulfate heptahydrate 、 sodium azide 以 乙醇 、 水 为溶剂， 以65%的产率得到[Zn(nicotinate)(N3)]n
  参考文献：
  名称：

  Two new 3D network structures: [Cd3(nic)4(N3)2(H2O)]n and [Zn(nic)(N3)]n (nic=nicotinate anion)

  摘要：

  Two new cadmium(II) and zinc(II) complexes: [Cd-3(nic)(4)(N-3)(2)(H2O)(2)](n) (1) and [Zn(nic)(N-3)](n) (2) (nic = nicotinate anion) have been synthesized and characterized by spectroscopic, crystallographic and thermal methods. Both complexes I and 2 represent 3D network structures. Complex 1 consists of trinuclear units in which the three Cd centers are held together by four bridging mu-N,O,O'-tridentate nicotinate anions, two bridging end-on (EO), (mu(1),(1)-N-3) groups and two aqua molecules. The water molecule is further H-bonded to the neighboring unit through an O center dot center dot center dot H-O bond. Complex 2 crystallizes in the non-centrosymmetric space group P2(1)2(1)2(1), representing a right handed chiral complex. Each zinc(H) atom forms a distorted trigonal bipyramidal structure linked through mu-N,O,O'-tridentate nicotinate anions and di-(mu(1),(1)-N-3) groups. IR, Raman, H-1 NMR and C-13 NMR spectra of both complexes have been measured and discussed in comparison to the free ligand, in addition to the discussion of the thermal TGA and DTA curves. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.05.026