catena-μ(1,3)-azido-μ(O,N-picolinato)aquamanganese(II) | 145116-89-8

• 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: catena-μ(1,3)-azido-μ(O,N-picolinato)aquamanganese(II)
• CAS: 145116-89-8
• 化学式: C₆H₄NO₂*H₂O*Mn*N₃
• 分子量: 237.077
• InChiKey: BTQZMDMAACBDSQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  -0.52
• 重原子数：
  14.0
• 可旋转键数：
  1.0
• 环数：
  1.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  143.22
• 氢给体数：
  0.0
• 氢受体数：
  3.0

反应信息

• 作为产物：
  描述：

  manganese(II) chloride tetrahydrate 、 2-吡啶甲酸 、 sodium azide 以 乙醇 、 水 为溶剂， 生成 catena-μ(1,3)-azido-μ(O,N-picolinato)aquamanganese(II)
  参考文献：
  名称：

  Preparation and structural characterization of catena-μ(1,3)-azido-μ(O,N-picolinato)-aquamanganese(II), Mn(NC5H4CO2)(N3)(H2O)

  摘要：

  A mixed ligand complex of manganese(II) azide with picolinic acid, namely catena-mu(1,3)-azido-mu(O,N-picolinato)aquamanganese(II), was synthesized and characterized by X-ray crystallography. The coordination environment of the manganese(II) atom is a distorted octahedron. Each metal atom, which links a water molecule [Mn-O(1) = 2.218(3) angstrom], is chelated by a picolinato anion [via its ring nitrogen atom, Mn-N = 2.278(3) angstrom, and a carboxylato oxygen atom, Mn-O(2) = 2.167(2) angstrom]. The chelating carboxylate O(2) atom is further bridging another manganese atom giving rise to a centrosymmetric dimeric Mn2O2 [Mn-O(2a) = 2.243(2) angstrom]. These dimeric units are connected to mu(1,3) bridging azido ligands [Mn-N = 2.167(3) and 2.219(3) angstrom] to form a two dimensional layer structure along the ab plane. Each water molecule forms two O-H ... O hydrogen bonds with the non-chelating carboxylate oxygen atoms of two adjacent picolinato groups. The IR and Raman spectra are also reported and correlated with the structure of the complex. The vibrational bands of diagnostic value are compared to the values of the carbolic acid and the free anion.

  DOI：

  10.1016/s0277-5387(00)83687-6