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首页> 外文期刊>Acta Crystallographica Section E: Crystallographic Communications >Crystal structure of cis-bis­{4-phenyl-1-[(3R)-1,7,7-tri­methyl-2-oxobi­cyclo­[2.2.1]heptan-3-ylidene]thio­semicarbazidato-κ3O,N1,S}cadmium(II) with an unknown solvent mol­ecule
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Crystal structure of cis-bis­{4-phenyl-1-[(3R)-1,7,7-tri­methyl-2-oxobi­cyclo­[2.2.1]heptan-3-ylidene]thio­semicarbazidato-κ3O,N1,S}cadmium(II) with an unknown solvent mol­ecule

机译:顺-双{4-苯基-1-[(3R)-1,7,7-三甲基-2-氧代双环[2.2.1]庚基-3-亚烷基]硫代氨基脲-κ3O,N1,S}的晶体结构II)具有未知溶剂分子

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摘要

The reaction between the racemic mixture of the camphor-4-phenyl­thio­semicarbazone derivative and cadmium acetate dihydrate yielded the title compound, [Cd(C17H20N3OS)2]. The CdII ion is six-coordinated in a distorted octa­hedral environment by two deprotonated thio­semicarbazone ligands acting as an O,N,S-donor in a tridentate chelating mode, forming five-membered chelate rings. In the crystal, the mol­ecules are connected via pairs of N—H⋯S and C—H⋯S inter­actions, building centrosymmetric dimers. One of the ligands is disordered in the campher unit over two sets of sites with site-occupancy factors of 0.7 and 0.3. The structure contains additional solvent mol­ecules, which are disordered and for which no reasonable split model was found. Therefore, the data were corrected for disordered solvent using the SQUEEZE routine [Spek (2015). Acta Cryst. C71, 9–18] in PLATON. Since the disordered solvents were removed by data processing, and the number of solvent entities was a suggestion only, they were not considered in the chemical formula and subsequent chemical or crystal information.
机译:樟脑-4-苯基硫代半碳酰胺衍生物的外消旋混合物与乙酸镉二水合物之间的反应产生标题化合物[Cd(C17H20N3OS)2]。 CdII离子在扭曲的八面体环境中被两个去质子化的硫半脲配体在三齿螯合模式下作为O,N,S供体进行六配位,形成五元螯合环。在晶体中,分子通过NHS和CHS相互作用对连接,从而建立了中心对称的二聚体。配体中的一个配体在两组位点的campher单元中无序,位点占用因子为0.7和0.3。该结构包含其他无序的溶剂分子,并且没有找到合理的分裂模型。因此,使用SQUEEZE程序[Spek(2015)]对溶剂混乱的数据进行了校正。 Acta Cryst。 C71,9-18]在PLATON中。由于无序溶剂是通过数据处理除去的,并且溶剂实体的数量仅是一个建议,因此在化学式和随后的化学或晶体信息中未考虑它们。

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