N-rac-(6,8,8,14,16,16-hexamethyl-1,5,9,13-tetraazacyclohexadeca-5,16(1)-diene)copper(II) tetrachlorozincate | 1146122-39-5

• 英文名称: N-rac-(6,8,8,14,16,16-hexamethyl-1,5,9,13-tetraazacyclohexadeca-5,16(1)-diene)copper(II) tetrachlorozincate
• CAS: 1146122-39-5
• 化学式: C₁₈H₃₆CuN₄*Cl₄Zn
• 分子量: 579.259
• InChiKey: DJDZEERZRJQLKS-PDWSRDODSA-J

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
  None
• 环数：
  None
• sp3杂化的碳原子比例：
  None
• 拓扑面积：
  None
• 氢给体数：
  None
• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  N-rac-(6,8,8,14,16,16-hexamethyl-1,5,9,13-tetraazacyclohexadeca-5,13-diene)copper(II)*N-meso-(6,8,8,14,14,16-hexamethyl-1,5,9,13-tetraazacyclohexadeca-5,16(1)-diene)copper(II) perchlorate 、 zinc(II) chloride 以 甲醇 为溶剂， 生成 N-rac-(6,8,8,14,16,16-hexamethyl-1,5,9,13-tetraazacyclohexadeca-5,16(1)-diene)copper(II) tetrachlorozincate
  参考文献：
  名称：

  The structures of some (hexamethyl-1,5,9,13-tetraazacyclohexadecadiene)copper(II) compounds

  摘要：

  The structure of the crystalline azamacrocyclic product formed by reaction of bis(propane-1,3-diamine)copper(II) perchlorate with acetone has been determined as N-rac-(6,8,8,14,16,16-hexamethyl-1,5,9,13-tetraazacyclohexadeca-5,13-diene)copper(II) center dot N-meso-(6,8,8,14,14,16-hexamethyl-1,5,9,13-tetraazacyclohexadeca-5,16(1)-diene)copper(II) perchlorate, with the cis, 5,16(1)-diene, and trans, 5,13-diene, isomeric cations co-crystallised. The structures of three compounds crystallised from solutions of this mixture have been determined. N-rac-(6,8,8,14,14,16-hexamethyl-1,5,9,13-tetraazacyclohexadeca-5,16(1)-diene)copper(II) tetrachlorozincate has an irregular flattened tetrahedral coordination geometry with trans-N-Cu-N angles of 139.27(8)degrees and 155.94(8)degrees. (Hexamethyl-1,5,9,13-tetraazacyclohexadecadiene)(thiocyanato-N)copper(II) perchlorate has twofold symmetrical square-pyramidal cations. A (mu-cyano)-tetracyanonickelate(II) compound has two (hexamethyl-1,5,9,13 -tetraazacyclohexadecadiene)copper(II) cations each with a single axially coordinated tetracyanonickelate(II) group. The compounds, except for the tetrachlorozincate(II) salt, show disorder in the location of the imine functions and axial methyl substituents, attributed to co-crystallisation of enantiomers for the N-rac-trans isomer and/or of rotated arrangements of the N-meso-cis isomer. For the thiocyanato and tetracyanonickelato compounds this disorder precluded unambiguous assignment of configuration. (C) 2009 Elsevier Ltd. All rights reserved.

  DOI：

  10.1016/j.poly.2008.12.029