| 295325-57-4

• CAS: 295325-57-4
• 化学式: CBr₅NOsS*C₁₁H₁₂N₂
• 分子量: 820.033
• InChiKey: GFDKZBGONXXZMG-UHFFFAOYSA-H

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

• 作为产物：
  描述：

  、 1,1-bis(pyridinium)methane diiodide 以 甲醇 、 二氯甲烷 为溶剂， 生成
  参考文献：
  名称：

  键同分异构五溴六苯菊酯(IV)的表示、晶体结构和振动光谱

  摘要：

  By treatment of (n-Bu4N)(2)[OsBr5I] with (SCN)(2) in dichloromethane the linkage isomers (n-Bu4N)(2)[OsBr5(NCS)] and (n-Bu4N)(2)[OsBr5(SCN)] are formed which have been separated by ion exchange chromatography on diethylaminoethyl cellulose. X-ray structure determinations on single crystals of (n-Bu4N)(2)[OsBr5(NCS)] (monoclinic, space group P2(1)/n, a = 10.955(5), b = 11.649(5), c = 35.478(5) Angstrom, beta = 91.92(1)degrees, Z = 4) and (CH2Py2)[OsBr5(SCN)] (monoclinic, space group P2(1)/n, a = 12.244(2), b = 10.134(3), c = 15.882(4) Angstrom, beta = 107.91(2)degrees, Z = 4) have been performed. The thiocyanate group is coordinated with the Os-N-C angle of 168 degrees for N bonding and the Os-S-C angle of 110 degrees for S bonding. Based on the molecular parameters of the X-ray determinations the IR and Raman spectra of both linkage isomers are assigned by normal coordinate analysis. The valence force constants are f(d)(OsN) = 1,81 and f(d)(OsS) = 1,42 mdyn/Angstrom.

  DOI：

  10.1002/1521-3749(200008)626:8<1845::aid-zaac1845>3.0.co;2-g