bis[(N,N-oxapentamethylenethiocarbamoylthioacetato)triphenyltin] hydrate | 223267-25-2

• 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: bis[(N,N-oxapentamethylenethiocarbamoylthioacetato)triphenyltin] hydrate
• CAS: 223267-25-2
• 化学式: C₅₀H₅₂N₂O₇S₄Sn₂
• 分子量: 1158.66
• InChiKey: KGIWWGGSBIDMPT-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
  None
• 可旋转键数：
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• 环数：
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• 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：

  2-(吗啉-4-硫代甲酰基硫基)乙酸 、 三苯基氢氧化锡 以 乙醇 为溶剂， 生成 bis[(N,N-oxapentamethylenethiocarbamoylthioacetato)triphenyltin] hydrate
  参考文献：
  名称：

  Bis[(N,N-3-oxapentamethylenethiocarbamoylthioacetato)triphenyltin] hydrate and bis(dicyclohexylammonium) bis(3-oxapentamethylenethiocarbamoylthioacetate)

  摘要：

  In the two independent dinuclear molecules of bis[(N,N-3-oxapentamethylenethiocarbamoylthioacetato) triphenyltin] hydrate, [Sn-2(C6H5)(6)(C7H10NO3S2)(2)(H2O)], the aqua(N, N-3-oxapentamethylenethiocarbamoylthioacetato)triphenyltin moiety uses its carbonyl O atom to connect to the Sn atom of the (N, N-3-oxapentamethylenethiocarbamoylthioacetato)triphenyltin moiety, to furnish trans-C3SnO2 trigonal bipyramidal geometries for the Sn atoms in the dinuclear compound. Hydrogen bonds link the coordinated water of one symmetry-independent molecule to the carbonyl and heterocyclic O atoms of the other independent molecule [O ... O = 2,66 (4) and 2.75 (2), and 2.769 (8) and 2,667 (7) Angstrom, respectively] in a layer structure, The orthorhombic unit cell of bis(dicyclohexylammonium) bis(3-oxa-pentamethylenethiocarbamoylthioacetate) 2C(12)H(24)N(+). 2C(7)H(10)NO(3)S(2)(-), contains four centrosymmetric clusters of two cations and two anions, The C-O bonds in the carboxyl -CO2 fragment of the anion are delocalized, The ammonium N atom is hydrogen bonded to two carboxyl O atoms belonging; to different anions [N .. O = 2.732 (4) and 2,738 (4) Angstrom] to form an eight-membered O-C-O ... N ... O-C-O ... N ... ring.

  DOI：

  10.1107/s0108270198013092