[Ph2SnCl(2-amino-1-cyclopentene-1-carbodithioate)] | 356797-59-6

• 英文名称: [Ph2SnCl(2-amino-1-cyclopentene-1-carbodithioate)]
• CAS: 356797-59-6
• 化学式: C₁₈H₁₈ClNS₂Sn
• 分子量: 466.643
• InChiKey: IFIWDVLBJYQUOY-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
  None
• 重原子数：
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• 可旋转键数：
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• 环数：
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• sp3杂化的碳原子比例：
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• 拓扑面积：
  None
• 氢给体数：
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• 氢受体数：
  None

反应信息

• 作为产物：
  描述：

  1-环戊烯-1-甲二硫酸,2-氨基-,盐单铵 、 二苯基二氯化锡 以 甲醇 为溶剂， 以85%的产率得到[Ph2SnCl(2-amino-1-cyclopentene-1-carbodithioate)]
  参考文献：
  名称：

  Synthesis, spectroscopic investigations and crystal structures of organotin(IV) derivatives of 2-amino-1-cyclopentene-1-carbodithioic acid

  摘要：

  The organotin(IV) chlorides RnSnCl4-n, (n = 2, R = Bu-n or Ph; and n = 3, R = Ph) react with 2-amino-1-cyclopentene-1-carbodithioic acid (ACDA) to give [Ph2SnCl(ACDA)] (1), [Ph2Sn(ACDA)(2)] (2), [Ph3Sn(ACDA)] (3) and [Bu2Sn(ACDA)(2)] (4). The new complexes have been characterized by elemental analysis, UV-Vis, IR, H-1 NMR,Sn-119 NMR spectroscopy and mass spectrometry. On the basis of Sn-119 NMR data the effective coordination number in solution is five. The structures of 1, 3 and 4 have been confirmed by X-ray crystallography. Crystals of 1 are monoclinic with space group P2(1)/n. The tin environment is distorted trigonal bipyramid with Cl and sulfur atoms in epical positions. Crystals of 3 are orthorombic, P2(1)2(1)2(1), and the structure is distorted trigonal bipyramid with one sulfur and phenyl in the axial position. Complex 4 crystallizes in the triclinic space group, P (1) over bar, and the Sn atom shows extremely irregular octahedral coordination with four S atoms laying in the equatorial plane. In all complexes ACDA coordinates as an anisobidentate ligand and its orientation lends to form a NHS intramolecular hydrogen bond. The packing is also stabilized by intermolecular hydrogen bonding. (C) 2001 Elsevier Science B.V. All rights reserved.

  DOI：

  10.1016/s0020-1693(01)00368-1