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首页> 外文期刊>Bulletin of the Korean Chemical Society >Synthesis and Crystal Structure of Cobalt(III) Complex with Chiral Pentadentate Bis-Amide Ligand, 1,9-bis(S)-pyrrolidinyl-2,5,8-triazanonane-1,9-dione(S,S-prodienH2)
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Synthesis and Crystal Structure of Cobalt(III) Complex with Chiral Pentadentate Bis-Amide Ligand, 1,9-bis(S)-pyrrolidinyl-2,5,8-triazanonane-1,9-dione(S,S-prodienH2)

机译:手性五齿双酰胺配体,1,9-双(S)-吡咯烷基-2,5,8-三氮杂壬烷-1,9-二酮(S,S-prodienH2)钴(III)配合物的合成和晶体结构

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A chiral pentadentate bis-amide ligand, 1,9-bis(S)-pyrrolidinyl-2,5,8-triazanonane-1,9-dio ne(S,S-prodienH2) has been synthesized from the reaction of bis(2-aminoethyl)amine(dien) and S-proline, and the structure of [Co(S,S-prodien)H2O]ClO4 has been determined by single crystal X-ray diffraction. The geometrical structure of the Co(III) complex has been an メモ -form, where the dien moiety of ligand chelates to a facial in metal center, and the aqua ligand coordinates a cis site to the secondary nitrogen of dien. The Co-N(1), Co-N(3) distances of two amide moiety in S,S-prodien are shorter than the other Co-N(2), Co-N(4), and Co-N(5) distances because of the increased basicity of nitrogen in amide. The complex crystallizes in the monoclinic space group P21(#4), with a=7.838(1), b=12.675(1), c=9.710(1) ∈, モ=100.39(1) and z=2. Refinement gives the final R and Rw values of 0.045 and 0.057, respectively for 2130 observed reflections. Based upon the CD and X-ray data, it is identified that the absolute configuration of theメモ -[Co(S,S-prodien)H2O]ClO4 has a ニ-form.
机译:从bis(2)的反应合成了手性五齿双酰胺配体1,9-双(S)-吡咯烷基-2,5,8-三氮杂壬烷-1,9-二烯(S,S-prodienH2) -氨基乙基)胺(dien)和S-脯氨酸,以及[Co(S,S-prodien)H2O] ClO4的结构已通过单晶X射线衍射确定。 Co(III)配合物的几何结构为メ-形式,其中配体的二烯部分螯合到金属中心的面部,而aqua配体将顺式位点配接到二烯的次氮。 S,S-prodien中两个酰胺部分的Co-N(1),Co-N(3)距离比其他Co-N(2),Co-N(4)和Co-N(5)短距离),因为酰胺中氮的碱性增加。该复合物在单斜空间群P21(#4)中结晶,其中a = 7.838(1),b = 12.675(1),c = 9.710(1)∈,mo = 100.39(1)和z = 2。细化后得出的2130次反射的最终R和Rw值分别为0.045和0.057。根据CD和X射线数据,可以确定メ-[[Co(S,S-prodien)H 2 O] ClO 4的绝对构型具有尼型。

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