2,5,8,17,20,23-hexathia[9,9]-p-cyclophane | 182929-18-6

• 分子结构分类: 有机化合物 - 苯类化合物
• 英文名称: 2,5,8,17,20,23-hexathia[9,9]-p-cyclophane
• CAS: 182929-18-6
• 化学式: C₂₄H₃₂S₆
• 分子量: 512.914
• InChiKey: LQHYEEXDTVQFNF-UHFFFAOYSA-N

反应信息

• 作为反应物：
  描述：

  copper(II) tetrafluroborate hexahydrate 、 2,5,8,17,20,23-hexathia[9,9]-p-cyclophane 以 甲醇 、 乙腈 为溶剂， 以31%的产率得到
  参考文献：
  名称：

  Synthesis and molecular dynamics studies of the new ditopic para-xylyl containing macrocycle 2,5,8,17,20,23-hexathia[9,9]-p-cyclophane(p-S6). X-ray crystal structure of the dicopper(I) complex [Cu2(p-S6)CH3CN)2](BF4)2

  摘要：

  The synthesis of the macrocycle 2,5,8,17,20,23-hexathia[9,9]-p-cyclophane (p-S6) and its dicopper(I) complex [Cu-2(p-S6)(CH3CN)(2)] (BF4)(2) are reported. The single crystal X-ray structure of the complex was determined and compared with related compounds. The structure shows a centrosymmetric cation with two tetrahedral copper(I) centres each coordinated to three S-donor atoms [Cu-S distances between 2.287(2) and 2.349(2) Angstrom] of p-S6, and to one acetonitrile molecule [Cu-N = 1.897(6) Angstrom], to give a NS3 environment around the metal ion. Molecular dynamics simulations show that p-S6 is a flexible macrocycle with no particular conformation strongly favoured. Copyright (C) 1996 Elsevier Science Ltd

  DOI：

  10.1016/0277-5387(96)00160-x