The absolute configuration of the (+)546-.BETA.-oxalato[(6R,8S)-dimethyl-2,5,9,12-tetraazatridecane]cobalt(III) ion, (+)546-.BETA.-[Co(ox)(N,N'-Me2-R,S-2,3",2-TET)]+.
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概要
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The crystal and molecular structure of (+)<SUB>546</SUB>-β-[Co(ox)(<I>N</I>,<I>N</I>′-Me<SUB>2</SUB>-<I>R</I>,<I>S</I>-2,3″,2-tet)]<SUP>+</SUP> has been determined from three-dimensional intensity data collected by counter methods. The structure has been refined by least-squares techniques to an <I>R</I> factor of 5.9% for 838 reflections above the background. The red violet crystals are orthorhombic, with a space group of P2<SUB>1</SUB>2<SUB>1</SUB>2<SUB>1</SUB>, with <I>Z</I>=4 (<I>D</I><SUB>m</SUB>=1.501, <I>D</I><SUB>c</SUB>=1.505 g/cm<SUP>3</SUP>), and with cell constants of <I>a</I>=14.175(5), <I>b</I>=18.591(2) and <I>c</I>=7.747(4) Å. The complex ion has the <I>Δ</I> absolute configuration, which was determined by the Bijvoet method. The quadridentate ligand, <I>N</I>,<I>N</I>′-Me<SUB>2</SUB>-<I>R</I>,<I>S</I>-2,3″,2-tet), is coordinated to the Co <I>via</I> 4 N atoms in the <I>cis</I>-β configuration, yielding two terminal 5-membered chelate rings with the λ conformation and a central 6-membered ring with a chair conformation (both C–CH<SUB>3</SUB> groups are equatorial). The secondary N atoms have <I>R</I> chirality except for one terminal N atom, the absolute configuration of which is <I>S</I>. The N(<I>S</I>)–CH<SUB>3</SUB> group in the "out-of-plane" 5-membered ring is equatorial, whereas the N(<I>R</I>)–CH<SUB>3</SUB> group in the other ring has an axial disposition.
- 公益社団法人 日本化学会の論文
著者
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Yano Shigenobu
Department of Synthetic Chemistry, Faculty of Engineering, The University of Tokyo
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Furuhashi Keizo
Department of Synthetic Chemistry, Faculty of Engineering, The University of Tokyo