[phthalocyaninato(2-)]antimony(III) chloride | 64094-50-4

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 吡啶及其衍生物
• 英文名称: [phthalocyaninato(2-)]antimony(III) chloride
• 英文别名: 38-Chloro-9,18,27,36,37,39,40,41-octaza-38-stibadecacyclo[17.17.3.110,17.128,35.02,7.08,37.011,16.020,25.026,39.029,34]hentetraconta-1,3,5,7,9,11,13,15,17(41),18,20,22,24,26,28(40),29,31,33,35-nonadecaene
• CAS: 64094-50-4；325691-13-2
• 化学式: C₃₂H₁₆N₈Sb*Cl
• 分子量: 669.736
• InChiKey: QPZYMTLFRSPXGN-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  5.16
• 重原子数：
  42
• 可旋转键数：
  0
• 环数：
  10.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  82.3
• 氢给体数：
  0
• 氢受体数：
  2

反应信息

• 作为产物：
  描述：

  亚锑氢化物 、 一氯化碘 、 1,2-二氰基苯 以 neat (no solvent) 为溶剂， 生成 [phthalocyaninato(2-)]antimony(III) chloride 、 [phthalocyaninato(2-)]antimony(III) iodide
  参考文献：
  名称：

  [Phthalocyaninato(2–)]antimony(III) chloride

  摘要：

  The title antimony(III) complex, [Sb(C32H16N8)]Cl or [SbPc]Cl (where Pc = C32H16N82-), has been obtained from the reaction of pure powdered antimony with 1,2-dicyanobenzene under a stream of ICl vapour. The asymmetric unit of this complex consists of an [SbPc](+) cation and a Cl- anion. The phthalocyaninate residue [SbPc](+) is not planar. The Sb atom lies 1.057 (3) Angstrom from the plane defined by the four isoindole N atoms. A combination of ionic and donor-acceptor interactions links the [SbPc]Cl molecules to form centrosymmetric [(SbPc)Cl](2) pseudo-dimers in the crystal. The Sb-Cl distances in the pseudo-dimer are not equivalent [3.043 (2) and 3.201 (2) Angstrom]. The pseudo-dimers are weakly linked through Cl . . .H-C-benzo interactions to form a three-dimensional network. As a result of these interactions, the four Sn-N-isoindole bond lengths in the [SbPc](+) residue are not equivalent and the symmetry of the Sb-N core is only close to C-s.

  DOI：

  10.1107/s0108270100015420