(1,4,8,12-tetraazacyclopentadecane)zinc(II) chloride perchlorate | 209070-28-0

• 分子结构分类: 有机化合物 - 脂质和类脂质分子
• 英文名称: (1,4,8,12-tetraazacyclopentadecane)zinc(II) chloride perchlorate
• 英文别名: [15]aneN4 zinc(II) chloride perchlorate；zinc;1,4,8,12-tetrazacyclopentadecane;chloride;perchlorate
• CAS: 209070-28-0
• 化学式: C₁₁H₂₆ClN₄Zn*ClO₄
• 分子量: 414.648
• InChiKey: ZZQMGLQCBRRLPX-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -8.23
• 重原子数：
  22
• 可旋转键数：
  0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  122
• 氢给体数：
  4
• 氢受体数：
  9

反应信息

• 作为产物：
  描述：

  1,4,8,12-四氮杂环十五烷 、 sodium perchlorate 、 zinc(II) chloride 以 水 为溶剂， 生成 (1,4,8,12-tetraazacyclopentadecane)zinc(II) chloride perchlorate
  参考文献：
  名称：

  Chloro(1,4,8,12-tetraazacyclopentadecane-κ⁴N)zinc(II) Perchlorate

  摘要：

  The Zn-II ion in [ZnCl(C11H26N4)]ClO4 has a distorted trigonal-bipyramidal geometry, with the tetradentate macrocyclic ligand and the Cl- ion constituting the coordination sphere. The Zn-Cl and average Zn-N bond lengths are 2.284(1) and 2.159 (4) Angstrom, respectively. The three six-membered and one five-membered chelate rings are in chair, chair, skew and gauche conformations, respectively.

  DOI：

  10.1107/s0108270197019999

文献信息

• Zinc Thiolate Complexes [ZnL <i> _n </i> (SR)] ⁺ with Azamacrocyclic Ligands, Part II: Mechanism of the Reaction with CS ₂
  作者：Johannes Notni、Stephan Schenk、Arne Roth、Winfried Plass、Helmar Görls、Ute Uhlemann、Angela Walter、Michael Schmitt、Jürgen Popp、Susana Chatzipapadopoulos、Thomas Emmler、Hergen Breitzke、Jörg Leppert、Gerd Buntkowsky、Kristian Kempe、Ernst Anders

  DOI：10.1002/ejic.200500948

  日期：2006.7

  The thiolate complexes Zn(15]aneN(4))(S-CH2-C6H5)]ClO4 (1) (15aneN(4) = 1,4,8,12-tetraazacyclopentadecane) and Zn(i-14]aneN(4))(S-CH2-C6H5)ICIO4 (2) (i-14aneN(4) = 1, 4,7, 11 -tetraazacyclotetradecane) have been reacted with carbon disulfide. The trithiocarbonate complexes Zn(15]aneN(4))S-C(S)-S-CH2-C6H5]CIO4 1a, monoclinic, space group P2(1)/n, Z = 8, a = 13,2338(1) angstrom, b = 12.9251(2) angstrom

  硫醇盐配合物 Zn(15]aneN(4))(S-CH2-C6H5)]ClO4 (1) (15aneN(4) = 1,4,8,12-四氮杂环十五烷) 和 Zn(i-14]aneN(4) ))(S- - )ICIO4 (2) (i-14aneN(4) = 1, 4,7, 11 -四氮杂环十四烷）已与二硫化碳反应。三硫代碳酸酯配合物 Zn(15]aneN(4))SC(S)-S- - ]CIO4 1a，单斜晶系，空间群 P2(1)/n，Z = 8，a = 13,2338(1) 埃, b = 12.9251(2) 埃，c = 30.1669(4) 埃，β = 101.463(1) 度，V = 5057.1(1) 埃(3) 和 Zn(i14]aneN(4))SC(S)- S- - ]CIO4 2a，正交，空间群 P2(1)2(1)2(1)，Z = 8，a = 9.9936(1)