[Cu(o-phenanthroline)(4-methylbenzenesulfonato)(H2O)2](4-methylbenzenesulfonate)*H2O | 610299-97-3

• 分子结构分类: 有机化合物 - 苯类化合物 - 苯和取代衍生物
• 英文名称: [Cu(o-phenanthroline)(4-methylbenzenesulfonato)(H2O)2](4-methylbenzenesulfonate)*H2O
• CAS: 610299-97-3
• 化学式: C₇H₇O₃S*C₁₉H₁₉CuN₂O₅S*H₂O
• 分子量: 640.194
• InChiKey: HBMZTOLTRGATSB-UHFFFAOYSA-L

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

• 作为反应物：
  描述：

  [Cu(o-phenanthroline)(4-methylbenzenesulfonato)(H2O)2](4-methylbenzenesulfonate)*H2O 以 neat (no solvent) 为溶剂， 生成 copper(II) oxide
  参考文献：
  名称：

  Syntheses, crystal structures and characterization of divalent transition metal sulfonate complexes with o-phenanthroline

  摘要：

  Three new complexes, namely [Cu(phen)(L)(H2O)(2)]L.H2O 1, [M(phen)(2)(H2O)(2)]2L-6H(2)O [M = Co(2), Ni(3)], where, HL = 4-methylbenzenesulfonic acid and phen = o-phenanthroline, have been synthesized. The crystal structures were determined by X-ray diffraction method and refined by full-matrix least-squares methods to R = 0.0535 and wR = 0.1492 using 3567 reflections with I > 2sigma(I) for 1; R = 0.0388 and wR = 0.1223 using 3844 reflections with I > 2sigma(I) for 2; and R = 0.0401 and wR = 0.1222 using 3425 reflections with I > 2sigma(I) for 3. 1 Consists of cationic species [Cu(phen)(L)(H2O)(2)](+), in which Cu(H) ion is five-coordinated by two nitrogen atoms of o-phenanthroline, two water molecules and one sulfonate oxygen atom. The cations and the non-coordinating sulfonate anions are linked by hydrogen bonds to form infinite chains. Complexes 2 and 3 are isostructral compounds. Each of them consists of cationic species [M(phen)(2)(H2O)(2)](2+), in which metal ion is six-coordinated by four nitrogen atoms from two o-phenanthroline molecules and two water oxygen atoms. The sulfonate ions do not coordinate to metal ion. The cations, non-coordinating sulfonate ions and lattice water molecules are linked by hydrogen bonds to form infinite zigzag chains. CV, FT-IR, UV-Vis and TGA were also used to characterize these compounds. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(03)00428-9
• 作为产物：
  描述：

  1,10-菲罗啉 、 水 、 copper hydroxide 、 对甲苯磺酸 以 水 为溶剂， 以73%的产率得到[Cu(o-phenanthroline)(4-methylbenzenesulfonato)(H2O)2](4-methylbenzenesulfonate)*H2O
  参考文献：
  名称：

  Syntheses, crystal structures and characterization of divalent transition metal sulfonate complexes with o-phenanthroline

  摘要：

  Three new complexes, namely [Cu(phen)(L)(H2O)(2)]L.H2O 1, [M(phen)(2)(H2O)(2)]2L-6H(2)O [M = Co(2), Ni(3)], where, HL = 4-methylbenzenesulfonic acid and phen = o-phenanthroline, have been synthesized. The crystal structures were determined by X-ray diffraction method and refined by full-matrix least-squares methods to R = 0.0535 and wR = 0.1492 using 3567 reflections with I > 2sigma(I) for 1; R = 0.0388 and wR = 0.1223 using 3844 reflections with I > 2sigma(I) for 2; and R = 0.0401 and wR = 0.1222 using 3425 reflections with I > 2sigma(I) for 3. 1 Consists of cationic species [Cu(phen)(L)(H2O)(2)](+), in which Cu(H) ion is five-coordinated by two nitrogen atoms of o-phenanthroline, two water molecules and one sulfonate oxygen atom. The cations and the non-coordinating sulfonate anions are linked by hydrogen bonds to form infinite chains. Complexes 2 and 3 are isostructral compounds. Each of them consists of cationic species [M(phen)(2)(H2O)(2)](2+), in which metal ion is six-coordinated by four nitrogen atoms from two o-phenanthroline molecules and two water oxygen atoms. The sulfonate ions do not coordinate to metal ion. The cations, non-coordinating sulfonate ions and lattice water molecules are linked by hydrogen bonds to form infinite zigzag chains. CV, FT-IR, UV-Vis and TGA were also used to characterize these compounds. (C) 2003 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/s0022-2860(03)00428-9