([(CH₃)₃CNH][C₆H₅CH₂N(CH₃)]₂PO)Cl₂Me₂Sn | 1548150-96-4

• 英文名称: ([(CH₃)₃CNH][C₆H₅CH₂N(CH₃)]₂PO)Cl₂Me₂Sn
• CAS: 1548150-96-4
• 化学式: C₂₂H₃₆Cl₂N₃OPSn
• 分子量: 579.137
• InChiKey: XUUXIQDUACGAFW-UHFFFAOYSA-L

计算性质

• 辛醇/水分配系数(LogP)：
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• 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：
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• 氢给体数：
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• 氢受体数：
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反应信息

• 作为产物：
  描述：

  N-[bis[benzyl(methyl)amino]-oxidophosphaniumyl]-2-methylpropan-2-amine 、 二甲基二氯化锡 以 甲醇 为溶剂， 反应 48.0h， 生成 ([(CH₃)₃CNH][C₆H₅CH₂N(CH₃)]₂PO)Cl₂Me₂Sn
  参考文献：
  名称：

  Hirshfeld surface analysis of new organotin(IV)-phosphoramide complexes

  摘要：

  Hirshfeld surfaces and two-dimensional fingerprint plots are used to study short intermolecular contacts in new organotin(IV)-phosphoramide complexes, (L-1)(2)Cl2Me2Sn (1), (L-2) Cl2Me2Sn (2) and (L-3)(2)Cl2Me2Sn (3) [L-1 = (C5H9NH)(3)PO, L-2 = [(CH3)(3)CNH][C6H5CH2N(CH3)](2)PO and L-3 = (3-F-C6H4C(O)NH)(N(CH3)C6H11)(2)PO]. The previously reported structure L-3 is also analyzed for a comparison with the related complex, 3. While 2 and 3, respectively, contain one independent molecule and one-half of a molecule, the asymmetric unit of 1 is composed of three independent molecules with different conformations of ligands around the tin center but with very similar Hirshfeld surfaces and fingerprint plots. The Sn-IV coordination geometries are octahedral for 1 and 3 with cis-phosphoramides in each independent molecule of 1 and trans-phosphoramides in 3. For 2, the Sn-IV adopts a distorted trigonal bipyramidal environment with the axial positions occupied by the ligand phosphoramide and one Cl atom. Twodimensional fingerprint plots of 1 and 2 show pairs of spikes attributed to the intermolecular H center dot center dot center dot Cl contacts including N-H center dot center dot center dot Cl hydrogen bonds. Two spikes found in 3 are much shorter comparing with 1 and 2 due to absence of the intermolecular N-H center dot center dot center dot Cl hydrogen bond and lower contribution of C-H center dot center dot center dot Cl contacts. In the ligand L-3 the presence of N-H center dot center dot center dot O=P hydrogen bond is reflected as a deep-red area of Hirshfeld surfaces. Moreover, in fingerprint plot of L-3 two intense spikes are observed related to the intermolecular H/O contacts including N-H center dot center dot center dot O=P hydrogen bond. The more shallow red spots on the Hirshfeld surface of 3 with respect to L-3 are caused by absence of N-H center dot center dot center dot O hydrogen bond and the lower contribution of H center dot center dot center dot O contacts. (C) 2013 Elsevier B.V. All rights reserved.

  DOI：

  10.1016/j.jorganchem.2013.10.009