bis(N,N-diethylmonothiocarbamato)zinc(II)

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 硫代氨基甲酸类
• 英文名称: bis(N,N-diethylmonothiocarbamato)zinc(II)
• 英文别名: bis(diethyl monothiocarbamato)zinc(II)；bis(diethylmonothiocarbamato)zinc(II)
• 化学式: 2C₅H₁₀NOS*Zn
• 分子量: 329.803
• InChiKey: NFGFXTGMJTUGMQ-UHFFFAOYSA-M

计算性质

• 辛醇/水分配系数(LogP)：
  0.99
• 重原子数：
  9.0
• 可旋转键数：
  2.0
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.8
• 拓扑面积：
  20.31
• 氢给体数：
  0.0
• 氢受体数：
  2.0

反应信息

• 作为反应物：
  描述：

  bis(N,N-diethylmonothiocarbamato)zinc(II) 、 diethylzinc 以 甲苯 为溶剂， 生成
  参考文献：
  名称：

  The preparation and structural characterisation of bis(N,N-diethylmonothiocarbamato)complexes of cadmium and of the novel tetrameric complex [Et4Zn4(OSCNEt2)2(NEt2)2]: two new bonding modes for the monothiocarbamato ligand

  摘要：

  双(二乙基一硫代氨基甲酸根)合镉(1)和合锌(2)配合物通过钠一硫代氨基甲酸与乙酸镉或氯化锌的反应制备而成。化合物1结晶为透明针状晶体，单晶X射线分析显示其为单斜晶系(空间群C2/c，编号15)，晶胞参数a = 22.143(2) Å，b = 9.239(2) Å，c = 7.553(3) Å，β = 101.41(2)°，Z = 4。镉中心配位为扭曲的三方柱形，包含两个S,O双齿和两个O单齿的二乙基一硫代氨基甲酸配体。这种新型的O双核化配位模式使得一硫代氨基甲酸配体形成聚合链，这些链协同排列成扭曲的紧密堆积六方阵列。笼状配合物[Et4Zn4(OSCNEt2)2(NEt2)2] 3是EtZnNEt2与羰基硫反应的唯一可分离产物。形成了透明的菱形晶体(空间群P21/n，编号14)，晶胞参数a = 10.818(1) Å，b = 14.732(1) Å，c = 11.758(2) Å，β = 103.25(1)°，Z = 2。该笼由两个六元Zn2CNOS金属环组成，通过Zn–S和Zn–O键对连接。在3中观察到一硫代氨基甲酸配体的第二种新型配位模式，其中氧和硫原子均参与双核化。3的分子排列形成稍扭曲的立方紧密堆积阵列。此外，还报道了3的变温1H NMR谱图，显示该簇在溶液中保持完整。

  DOI：

  10.1039/a805986a
• 作为产物：
  描述：

  sodium salt of diethylthiocarbamic acid 、 zinc(II) chloride 以 乙醚 、 苯 为溶剂， 以86%的产率得到bis(N,N-diethylmonothiocarbamato)zinc(II)
  参考文献：
  名称：

  The preparation and structural characterisation of bis(N,N-diethylmonothiocarbamato)complexes of cadmium and of the novel tetrameric complex [Et4Zn4(OSCNEt2)2(NEt2)2]: two new bonding modes for the monothiocarbamato ligand

  摘要：

  双(二乙基一硫代氨基甲酸根)合镉(1)和合锌(2)配合物通过钠一硫代氨基甲酸与乙酸镉或氯化锌的反应制备而成。化合物1结晶为透明针状晶体，单晶X射线分析显示其为单斜晶系(空间群C2/c，编号15)，晶胞参数a = 22.143(2) Å，b = 9.239(2) Å，c = 7.553(3) Å，β = 101.41(2)°，Z = 4。镉中心配位为扭曲的三方柱形，包含两个S,O双齿和两个O单齿的二乙基一硫代氨基甲酸配体。这种新型的O双核化配位模式使得一硫代氨基甲酸配体形成聚合链，这些链协同排列成扭曲的紧密堆积六方阵列。笼状配合物[Et4Zn4(OSCNEt2)2(NEt2)2] 3是EtZnNEt2与羰基硫反应的唯一可分离产物。形成了透明的菱形晶体(空间群P21/n，编号14)，晶胞参数a = 10.818(1) Å，b = 14.732(1) Å，c = 11.758(2) Å，β = 103.25(1)°，Z = 2。该笼由两个六元Zn2CNOS金属环组成，通过Zn–S和Zn–O键对连接。在3中观察到一硫代氨基甲酸配体的第二种新型配位模式，其中氧和硫原子均参与双核化。3的分子排列形成稍扭曲的立方紧密堆积阵列。此外，还报道了3的变温1H NMR谱图，显示该簇在溶液中保持完整。

  DOI：

  10.1039/a805986a

文献信息

• N,N-Diethylmonothiocarbamates of group 12 metals. The crystal and molecular structures of the hexameric complex [Hg{S(O)CNEt2}2]6
  作者：José S. Casas、Paula Montero-Vázquez、Agustín Sánchez、José Sordo、Ezequiel M. Vázquez-López

  DOI：10.1016/s0277-5387(98)00083-7

  日期：1998.7

  Abstract TheN,N-diethylmonothiocarbamates of the group 12 elements Zn, Cd and Hg were synthesized by metathetic reactions between metallic salts and [Et2NH2], [S(O)CNEt2] in deoxygenated solvents. The mercury complex crystallized in the trigonal system (hexagonal setting) space group R 3 (No. 148). The crystal consists of hexameric [HgS(O)CNEt2}2]6 clusters, each of which is held together by intermolecular

  摘要在脱氧溶剂中，通过金属盐与[Et2NH2]，[S（O）CNEt2]的易位反应，合成了Zn，Cd和Hg第12组元素的N，N-二乙基单硫代氨基甲酸酯。汞配合物在三角系统（六角形）空间群R 3（第148号）中结晶。该晶体由六聚体[Hg S（O）CNEt2} 2] 6个簇组成，每个簇通过分子间的Hg–S和Hg–O键（长度分别为3.1200（13）和2.777（3）A）保持在一起。配体之间通过共价Hg-S键与金属配位且分子内Hg-O相互作用弱的单体之间存在相互作用。Hg原子周围的配位多面体可以认为是高度畸变的八面体。还讨论了化合物的IR和1H，13C和11; Cd或19; Hg nmr光谱。
• Kosareva, L. A.; Larionov, S. V.; Malikova, A. F., Russian Journal of Inorganic Chemistry, 1978, vol. 23, p. 860 - 864
  作者：Kosareva, L. A.、Larionov, S. V.、Malikova, A. F.

  DOI：——

  日期：——
• The preparation and structural characterisation of bis(N,N-diethylmonothiocarbamato)complexes of cadmium and of the novel tetrameric complex [Et4Zn4(OSCNEt2)2(NEt2)2]: two new bonding modes for the monothiocarbamato ligand
  作者：Mohammed Chunggaze、M. Azad Malik、Paul O’Brien、Andrew J. P. White、David J. Williams

  DOI：10.1039/a805986a

  日期：——

  Bis(diethylmonothiocarbamato) complexes of cadmium (1) and zinc (2) were prepared by the reaction of sodium monothiocarbamate with cadmium acetate or zinc chloride. Compound 1 crystallises as clear needles and a single crystal X-ray analysis showed it to be monoclinic (space group C2/c, no. 15), a = 22.143(2), b = 9.239(2), c = 7.553(3) Å, β = 101.41(2)° and Z = 4. The coordination at the cadmium centre is distorted trigonal prismatic with two S,O-bidentate and two O-monodentate diethylmonothiocarbamato ligands. This new, O-binucleating, bonding mode for the monothiocarbamato ligand results in polymeric chains which are co-aligned to give a distorted close-packed hexagonal array.The cage complex [Et4Zn4(OSCNEt2)2(NEt2)2] 3 is formed as the only isolable product from the reaction of EtZnNEt2 with carbonyl sulfide. Clear rhombic crystals (space group P21/n, no. 14) were formed [a = 10.818(1), b = 14.732(1), c = 11.758(2) Å, β = 103.25(1)° and Z = 2]. The cage is comprised of two six-membered Zn2CNOS metallocycles that are linked by pairs of Zn–S and Zn–O bonds. In 3 a second new bonding mode for the monothiocarbamato ligand is observed in which both the oxygen and sulfur atoms are binucleating. Molecules of 3 pack to form a slightly distorted cubic close-packed array. The variable temperature 1H NMR of 3 is also reported and shows the cluster to remain intact in solution.

  双(二乙基一硫代氨基甲酸根)合镉(1)和合锌(2)配合物通过钠一硫代氨基甲酸与乙酸镉或氯化锌的反应制备而成。化合物1结晶为透明针状晶体，单晶X射线分析显示其为单斜晶系(空间群C2/c，编号15)，晶胞参数a = 22.143(2) Å，b = 9.239(2) Å，c = 7.553(3) Å，β = 101.41(2)°，Z = 4。镉中心配位为扭曲的三方柱形，包含两个S,O双齿和两个O单齿的二乙基一硫代氨基甲酸配体。这种新型的O双核化配位模式使得一硫代氨基甲酸配体形成聚合链，这些链协同排列成扭曲的紧密堆积六方阵列。笼状配合物[Et4Zn4(OSCNEt2)2(NEt2)2] 3是EtZnNEt2与羰基硫反应的唯一可分离产物。形成了透明的菱形晶体(空间群P21/n，编号14)，晶胞参数a = 10.818(1) Å，b = 14.732(1) Å，c = 11.758(2) Å，β = 103.25(1)°，Z = 2。该笼由两个六元Zn2CNOS金属环组成，通过Zn–S和Zn–O键对连接。在3中观察到一硫代氨基甲酸配体的第二种新型配位模式，其中氧和硫原子均参与双核化。3的分子排列形成稍扭曲的立方紧密堆积阵列。此外，还报道了3的变温1H NMR谱图，显示该簇在溶液中保持完整。