trans-diaquabis(propane-1,3-diamine-κ2N,N')copper(II) dithionate | 668474-74-6

• 分子结构分类: 无机化合物
• 英文名称: trans-diaquabis(propane-1,3-diamine-κ2N,N')copper(II) dithionate
• CAS: 668474-74-6
• 化学式: C₆H₂₄CuN₄O₂*O₆S₂
• 分子量: 407.957
• InChiKey: KIYRQPDFNOVFLZ-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -5.07
• 重原子数：
  21
• 可旋转键数：
  0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  1.0
• 拓扑面积：
  237
• 氢给体数：
  6
• 氢受体数：
  12

反应信息

• 作为产物：
  描述：

  lithium dithionate 、 propane-1,3-diamine dihydrate 、 copper dichloride 以 水 为溶剂， 生成 trans-diaquabis(propane-1,3-diamine-κ2N,N')copper(II) dithionate
  参考文献：
  名称：

  catena-Poly[[trans-bis(ethane-1,2-diamine-κ²N,N′)copper(II)]-μ-dithionato-κ²O:O′] andtrans-diaquabis(propane-1,3-diamine-κ²N,N′)copper(II) dithionate

  摘要：

  In title anhydrous catena-poly[[trans-bis(ethane-1,2-diamine-kappa(2)N, N') copper(II)]-mu-dithionato-kappa(2)O:O'], [Cu(S2O6)(C2H8N2)(2)](n) or [{H2N(CH2)(2)NH2}(2)Cu(O.O2SSO2.O)](infinity), successive Cu atoms are bridged by a single doubly charged dithionate group, forming a one-dimensional polymer with inversion centres at the metal atoms and the mid-point of the S-S bond [Cu-O=2.5744 (15) Angstrom]. In title (hydrated) trans-diaquabis-(propane-1,3-diamine-kappa(2)N,N') copper(II) dithionate, [Cu(C3H10N2)(2)(H2O)(2)](S2O6) or [{H2N(CH2)(3)NH2}(2)Cu(OH2)(2)](S2O6), both ions have imposed 2/m symmetry. The 'axial' anion components are displaced by a pair of water ligands [Cu-O=2.439 ( 3) Angstrom], the shorter Cu-O distance being compensated by the lengthened Cu-N distance [2.0443 (18), cf. 2.0100 (13) and 2.0122 (16) Angstrom].

  DOI：

  10.1107/s0108270103025447