2-(indazol-2-yl)-2-thiazoline | 875326-02-6

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 苯并吡唑类
• 英文名称: 2-(indazol-2-yl)-2-thiazoline
• 英文别名: 2-Indazol-2-yl-4,5-dihydro-1,3-thiazole
• CAS: 875326-02-6
• 化学式: C₁₀H₉N₃S
• 分子量: 203.268
• InChiKey: ISQLOTVZFNCGMS-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  2.1
• 重原子数：
  14
• 可旋转键数：
  1
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.2
• 拓扑面积：
  55.5
• 氢给体数：
  0
• 氢受体数：
  3

反应信息

• 作为反应物：
  描述：

  cadmium(II) nitrate tetrhydrate 、 2-(indazol-2-yl)-2-thiazoline 以 乙醇 为溶剂， 以48.6%的产率得到[Cd(NO3)2(TnInL)2]
  参考文献：
  名称：

  The coordination behaviour of two structural isomeric ligands towards cadmium (II): Synthesis, spectroscopic characterization and crystal structures

  摘要：

  Two new structural isomeric ligands, 2-(indazol-1-yl)-2-thiazoline (TnInA) (1) and 2-(indazol-2-yl)-2-thiazoline (TnInL) (2), have been prepared and characterized by a variety of physico-chemical techniques. Likewise, the cadmium (II) complexes [Cd(NO3)(2)-(TnInA)(2)] (3) and [Cd(NO3)(2)(TnInL)(2)] (4) have been isolated and characterized through elemental analysis, IR and UV-Vis spectroscopy. Moreover, the structures have been determined by X-ray diffraction. Both ligands act as bidentate ligands through thiazoline nitrogen atom and indazole nitrogen atom, making a five-membered chelate ring. The environment around the cadmium (II) atom in both complexes may be described as a triangulated dodecahedral geometry. (c) 2005 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2005.06.058

文献信息

• Influence of heterocycles arrangement in structural isomeric ligands on coordination sphere of copper(II) complexes: Crystal structures and spectroscopic characterization
  作者：M.A. Maldonado-Rogado、E. Viñuelas-Zahínos、F. Luna-Giles、A. Bernalte-García

  DOI：10.1016/j.poly.2006.10.001

  日期：2007.4

  New copper complexes with two structural isomeric ligands, 2-(indazol-1-yl)-2-thiazoline (TnInA) and 2-(indazol-2-yl)-2-thiazoline (TnInL), have been synthesized and characterized by magnetic measurements, IR, electronic and EPR spectroscopies. Moreover, the molecular structures of [Cu(NO3)(TnInA)(2)(H2O)](NO3) center dot (H2O) (1) and [Cu(NO3)(2)(TnInL)(H2O)] (2) have been resolved by single-crystal X-ray diffraction studies. In compound 1 the copper ion is in a distorted octahedral geometry, with the equatorial plane formed by four nitrogen donor atoms from two organic ligands and the axial positions occupied by two oxygen atoms from a water molecule and a mono-coordinated nitrate anion. The coordination geometry around the copper atom in compound 2 can be described basically as a square pyramid with two nitrogen atoms from TnInL ligand, one oxygen atom from a water molecule and one oxygen atom from a nitrate group in the equatorial plane. The axial position is occupied by one oxygen atom from a nitrate group. Likewise, a second oxygen atom from the last nitrate group in equatorial position might involve in a weak sixth coordination position to give a (4 + 1 + 1*) coordination mode. (C) 2006 Elsevier Ltd. All rights reserved.