fac-N,N'-methylenedipyridinium trichlorotrifluoroosmate(IV) | 164794-58-5

• 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: fac-N,N'-methylenedipyridinium trichlorotrifluoroosmate(IV)
• 英文别名: fac-N,N'-dipyridinomethane trichlorotrifluoroosmate(IV)；1-(Pyridin-1-ium-1-ylmethyl)pyridin-1-ium;trichloro(trifluoro)osmium(2-)
• CAS: 164794-58-5
• 化学式: C₁₁H₁₂N₂*Cl₃F₃Os
• 分子量: 525.784
• InChiKey: QATRECZYFBZZCC-UHFFFAOYSA-H

计算性质

• 辛醇/水分配系数(LogP)：
  4.09
• 重原子数：
  20
• 可旋转键数：
  2
• 环数：
  2.0
• sp3杂化的碳原子比例：
  0.09
• 拓扑面积：
  7.8
• 氢给体数：
  0
• 氢受体数：
  4

反应信息

• 作为产物：
  描述：

  fac-tetra-n-butylammonium trichlorotrifluoroosmate(IV) 、 N,N'-methylenedipyridinium bromide 以 N,N-二甲基甲酰胺 为溶剂， 生成 fac-N,N'-methylenedipyridinium trichlorotrifluoroosmate(IV)
  参考文献：
  名称：

  fac- and mer-Dipyridiniomethane Trichlorotrifluoroosmate(IV), fac- and mer-[(C5H5N)2CH2][OsCl3F3]

  摘要：

  The structures of fac-N,N'-methylenedipyridinium trichlorotrifluoroosmate(IV), (I), and mer-N,N'-methylenedipyridinium trichlorotrifluoroosmate(IV), (II), fac- and mer-[(C5H5N)(2)CH2][OsCl3F3], have been determined by single-crystal X-ray diffraction at room temperature. The complex anions are completely ordered. The Os-F distances in (I) are equal to within 3 e.s.d.'s, as are the Os-Cl distances. The mean Os-F distance of 1.948 Angstrom and Os-Cl distance of 2.3199 Angstrom are typical for bonds altered in length by the trans influence. The asymmetric Cl-Os-F coordination axis in (II) has longer Os-F distance [1.976 (3) Angstrom] and a shorter Os-Cl distance [2.2782 (13)Angstrom] than the symmetric F-Os-F and Cl-Os-Cl axes, which have mean bond lengths of 1.944 and 2.307 Angstrom, respectively.

  DOI：

  10.1107/s0108270194015015

文献信息

• fac- and mer-Dipyridiniomethane Trichlorotrifluoroosmate(IV), fac- and mer-[(C5H5N)2CH2][OsCl3F3]
  作者：C. Bruhn、W. Preetz

  DOI：10.1107/s0108270194015015

  日期：1995.6.15

  The structures of fac-N,N'-methylenedipyridinium trichlorotrifluoroosmate(IV), (I), and mer-N,N'-methylenedipyridinium trichlorotrifluoroosmate(IV), (II), fac- and mer-[(C5H5N)(2)CH2][OsCl3F3], have been determined by single-crystal X-ray diffraction at room temperature. The complex anions are completely ordered. The Os-F distances in (I) are equal to within 3 e.s.d.'s, as are the Os-Cl distances. The mean Os-F distance of 1.948 Angstrom and Os-Cl distance of 2.3199 Angstrom are typical for bonds altered in length by the trans influence. The asymmetric Cl-Os-F coordination axis in (II) has longer Os-F distance [1.976 (3) Angstrom] and a shorter Os-Cl distance [2.2782 (13)Angstrom] than the symmetric F-Os-F and Cl-Os-Cl axes, which have mean bond lengths of 1.944 and 2.307 Angstrom, respectively.