[Zn(Hsal)₂(Py)₂] | 224773-10-8

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Zn(Hsal)₂(Py)₂]
• 英文别名: [Zn(Hsal)₂(pyridine)₂]；bis(pyridine)bis(salicylato)zinc；zinc;2-hydroxybenzoate;pyridine
• CAS: 224773-10-8
• 化学式: C₂₄H₂₀N₂O₆Zn
• 分子量: 497.823
• InChiKey: VPNMBBLMFVFPOK-UHFFFAOYSA-L

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：

  水杨酸 在 NaOH 作用下， 以 乙醇 、 水 为溶剂， 生成 [Zn(Hsal)₂(Py)₂]
  参考文献：
  名称：

  Some complexes derived from zinc salicylate or 3,5-di-tert-butylsalicylate. The crystal structure of (2,2′-bipyridyl)(methanol)(O-salicylato)(O,O′-salicylato)zinc

  摘要：

  The aqua ligands of diaquabis(salicylato)zinc and diaquabis(3,5-di-tert-butylsalicylato)zinc are easily displaced generating related bis-pyridine and 2,2'-bipyridyl complexes. Attempts to recrystallise the tert-butylsalicylate from ethanol resulted in replacement of the aqua ligands by ethanol ligands. The attempted recrystallisation of (2,2'-bipyridyl)bis(salicylato)zinc from methanol led to the isolation of octahedral [Zn(O2CC6H4OH-2)(2)(bipy)(MeOH)] in which one salicylato ligand is coordinated in a monodentate fashion and the other in a bidentate chelating manner, both coordination modes involving carboxylate rather than hydroxyl oxygen coordination. The methanol is strongly bonded trans to a nitrogen, of the chelating 2,2'-bipyridyl and three further intramolecular six-membered hydrogen bonded rings are present, generated from interactions between the carboxyl and hydroxyl groups of the salicylate ligands and the hydroxyl group of the methanol ligand. (C) 1999 Elsevier Science S.A. All rights reserved.

  DOI：

  10.1016/s0020-1693(98)00421-6

文献信息

• New Zinc Coordination Compound with Simple Salicylato and Pyridine Ligands: Synthesis, Crystal Structure and Hirshfeld Surface Analysis
  作者：Nives Kitanovski、Marta Počkaj

  DOI：10.17344/acsi.2020.6634

  日期：——

  A novel mononuclear zinc coordination compound with formula [Zn(Hsal)2(Py)2] (H2sal = salicylic acid, Py = pyridine) was prepared by mixing aqueous solutions of sodium salicylate and zinc sulfate in 1:1 molar ratio, and to the resulting solution pyridine was added dropwise. The obtained compound was characterized by elemental analysis, IR spectroscopy, and its crystal structure was determined by single-crystal X-ray diffraction method. X-ray structure analysis has shown that the central zinc ion is four-coordinated by two monodentate salicylato ligands and two pyridine molecules, forming a distorted tetrahedron. Since the asymmetric unit consists of two halves of coordination molecules, orthorhombic Ibca space group symmetry leads to two coordination molecules with slightly different geometry. The comparison between the two is given in terms of interatomic distances and angles, and also in terms of differences in intermolecular interactions obtained as a result of Hirshfeld surface analysis. With the assistance of C−H…O interactions, the adjacent molecules are linked into chains and further connected into three-dimensional network.

  通过将水溶性的水杨酸钠和硫酸锌以1:1的摩尔比混合，并滴加吡啶，制备了一种新型单核锌配合物[Zn(Hsal)2(Py)2] (H2sal = 水杨酸，Py = 吡啶)。该化合物通过元素分析、红外光谱和单晶X射线衍射方法确定了其晶体结构。X射线结构分析表明，中央锌离子通过两个单齿水杨酸配体和两个吡啶分子形成四配位畸变四面体。由于非对称单元由两个配位分子的一半组成，正交Ibca空间群对应两个略有不同几何结构的配位分子。通过原子间距离和角度的比较，并通过Hirshfeld表面分析获得的分子间相互作用的差异来描述两者之间的比较。通过C-H…O相互作用的帮助，相邻分子被连接成链，并进一步连接成三维网络。