diaquadichloridobis(1H-imidazole)manganese(II) | 1204043-13-9

• 分子结构分类: 有机化合物 - 有机杂环化合物 - 唑类
• 英文名称: diaquadichloridobis(1H-imidazole)manganese(II)
• 英文别名: 1H-imidazole;manganese(2+);dichloride;dihydrate
• CAS: 1204043-13-9
• 化学式: C₆H₁₂Cl₂MnN₄O₂
• 分子量: 298.031
• InChiKey: AGLZPSVCSXEKFF-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  -6.82
• 重原子数：
  15
• 可旋转键数：
  0
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.0
• 拓扑面积：
  59.4
• 氢给体数：
  4
• 氢受体数：
  6

反应信息

• 作为产物：
  描述：

  咪唑 、 水 、 manganese(ll) chloride 在 HCl 作用下， 以 水 为溶剂， 生成 diaquadichloridobis(1H-imidazole)manganese(II)
  参考文献：
  名称：

  Diaquadichloridobis(1H-imidazole)manganese(II) at 100 K

  摘要：

  The mononuclear title complex, [MnCl2(C3H4N2)(2)(H2O)(2)], is located on a crystallographic inversion center. The Mn-II ion is coordinated by two imidazole ligands [Mn-N = 2.2080 (9) angstrom], two Cl atoms [Mn-Cl = 2.5747 (3) angstrom] and two water molecules [Mn-O = 2.2064 (8) angstrom]. These six monodentate ligands define an octahedron with almost ideal angles: the adjacent N-Mn-O, N-Mn-Cl and O-Mn-Cl angles are 90.56 (3), 92.04 (2) and 90.21 (2)degrees, respectively. Hydrogen bonds between the coordinated water molecules and Cl atoms form a two-dimensional network parallel to (100) involving R-4(2)(8) rings. The two-dimensional networks link into a three-dimensional framework through weaker N-H center dot center dot center dot Cl interactions. Thermogravimetric analysis results are in accordance with the water-coordinated character of the substance and its dehydration in two successive steps.

  DOI：

  10.1107/s0108270109015303