hydrotris(imidazolyl)boratothallium(I) | 269732-68-5

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: hydrotris(imidazolyl)boratothallium(I)
• 英文别名: hydrotris(imidazolyl)boratothallium；thallium(1+);tri(imidazol-1-yl)boranuide
• CAS: 269732-68-5
• 化学式: C₉H₁₀BN₆*Tl
• 分子量: 417.413
• InChiKey: WNRRFRUFZQQNGV-UHFFFAOYSA-N

计算性质

• 辛醇/水分配系数(LogP)：
  -0.44
• 重原子数：
  17
• 可旋转键数：
  3
• 环数：
  3.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  53.5
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  thallium(I) nitrate 、 KBH(im)₃ 以 甲醇 、 水 为溶剂， 以63%的产率得到hydrotris(imidazolyl)boratothallium(I)
  参考文献：
  名称：

  Janiak, Christoph; Temizdemir, Savas; Roehr, Caroline, Zeitschrift fur Anorganische und Allgemeine ChemieZ. Anorg. Allg. Chem., 2000, vol. 626, p. 1265 - 1267

  摘要：

  DOI：

文献信息

• Thallium(I) complexes with modified poly(pyrazolyl)borate ligands—metal-ligand coordination and crystal packing
  作者：Emma Craven、Esra Mutlu、Daniel Lundberg、Savaş Temizdemir、Sebastian Dechert、Horst Brombacher、Christoph Janiak

  DOI：10.1016/s0277-5387(01)01026-9

  日期：2002.3

  The structures of the thallium(I) complexes with hydrotris(pyrazolyl)borate (TpT1, 2-T1), and the modified Bp and Tp ligands dihydrobis( 1,2,4-triazolyl)borate (3-T1), hydrotris(imidazolyl)borate (6-T1), dihydrobis(indazolyl)borate (7-T1), and hydrotris(indazolyl)borate (8-T1) are reported and discussed in terms of their (molecular) metal-ligand arrangement and their crystal packing. Compounds 2-T1 and 7-T1 feature molecular TpT1 and BpT1 units with pronounced T1...pi(azolyl) interactions between neighboring molecules. In 8-T1 the molecular units are arranged in pairs through indazolyl pi(...)pi stacking. Complexes 3-T1 and 6-T1 form extended 3D and ID structures, respectively, through the bridging action of the poly(azolyl)borate ligand between three symmetry related thallium centers. Compounds 2-T1, 3-T1, and 8-T1 crystallize in the chiral space groups P2(1), P2(1)2(1)2(1) and C2, respectively. (C) 2002 Elsevier Science Ltd. All rights reserved.