Studies on Synthetic Ionophores. IX. X-Ray Crystal Structure Analysis of Potassium, Rubidium, and Cesium Salts of a Synthetic Carboxylic Ionophore.
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概要
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X-Ray crystal structure data are presented for potassium, rubidium, and cesium salts (<B>2</B>, <B>3</B>, and <B>4</B>) of 2-[[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)phenoxy]ethoxy]phenoxy]ethoxy]phenoxy]ethoxy]phenoxy]methyl]benzoic acid (<B>1</B>). The crystals of the potassium salt (<B>2</B>) monohydrate dichloroform solvate (<B>2</B>·H<SUB>2</SUB>O·2CHCl<SUB>3</SUB>) are triclinic, space group <I>P</I>\bar1 with two molecules in the unit cell dimensions <I>a</I>=14.517(1), <I>b</I>=16.380(1), <I>c</I>=13.315(1) Å, α=72.313(8)°, β=117.313(8)°, γ=120.853(5)°. <I>R</I>=0.102 for 6351 observed reflections. The crystals of <B>3</B>·H<SUB>2</SUB>O·CHCl<SUB>3</SUB> are monoclinic, space group <I>P</I>2<SUB>1</SUB>⁄<I>a</I> with four molecules in the unit cell dimensions <I>a</I>=24.085(6), <I>b</I>=13.068(2), <I>c</I>=13.983(4) Å, β=105.402(32)°. <I>R</I>=0.068 for 5112 observed reflections. The crystals of <B>4</B>·H<SUB>2</SUB>O·CHCl<SUB>3</SUB> are monoclinic, space group <I>P</I>2<SUB>1</SUB>⁄<I>n</I> with four molecules in the unit cell dimensions <I>a</I>=24.412(7), <I>b</I>=13.075(2), <I>c</I>=14.077(4) Å, β=106.743(31)°. <I>R</I>=0.071 for 6153 observed reflections. The backbones of <B>2</B>, <B>3</B>, and <B>4</B> form pseudocycles by head-to-tail hydrogen bonding between the terminal carboxylato and hydroxyl groups (O···O distance, 2.672, 2.699, and 2.706 Å, respectively). The conformations about C–C and C–O bonds are gauche and trans respectively, except for two of the C–O bonds which are gauche to make the pseudocyclic backbone bend like the seam of a tennis ball resulting in the formation of cavities fitted for the size of each cation.
- 公益社団法人 日本化学会の論文
著者
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OHASHI Yuji
Department of Chemistry and Materials Science Tokyo Institute of Technology
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Nakahama Seiichi
Department Of Organic And Polymeric Materials Graduate School Of Science And Engineering Tokyo Insti
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Yamaguchi Kazuo
Department Of Biological Sciences Graduate School Of Natural Science And Technology Kanazawa Univers
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Kasuga Noriko
Department Of Applied Chemistry Faculty Of Technology Tokyo University Of Agriculture And Technology
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Hori Kayako
Department Of Chemistry College Of Humanities And Sciences Nihon University
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OHASHI Yuji
Department of Chemistry, Faculty of Science, Tokyo Institute of Technology
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Kasuga Noriko
Department of Polymer Chemistry, Faculty of Engineering, Tokyo Institute of Technology
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