The Crystal and Molecular Structures of a 3 : 2 Adduct of Acetylene and Isonitrile Derivatives
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概要
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In order to determine the structure of the 3 : 2 adduct (acetylene : isonitrile) obtained by cycloaddition reaction of dimethyl acetylenedicarboxylate with 2,6-dimethylphenylisonitrile and to elucidate the route of the reaction, a heavy atom derivative of this adduct was prepared and subjected to X-ray diffraction analysis. The crystal grown from acetone solution has the composition C<SUB>36</SUB>H<SUB>34</SUB>N<SUB>2</SUB>O<SUB>12</SUB>Br<SUB>2</SUB>·CH<SUB>3</SUB>COCH<SUB>3</SUB> and belongs to monoclinic system with the lattice constants: <I>a</I>=34.13±0.04, <I>b</I>=14.66±0.02, <I>c</I>=8.10±0.01 Å, β=90.5±0.2°. The space group is <I>P</I>2<SUB>1</SUB>⁄<I>n</I> containing four formula units in the cell. The structure was solved by the heavy atom method and refined by the block-matrix least-squares method for 1482 observed reflections allowing the anisotropic thermal motions for each atom. It has been shown that the chemical structure of the adduct is 1-(4-bromo-2,6-dimethylphenyl)-2-(4-bromo-2,6-dimethylphenyl)imino-1,2-dihydro-3,4,5,5,6,7-hexacarbomethoxy-5<I>H</I>-1-pyrindine.
- 公益社団法人 日本化学会の論文
著者
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Iitaka Yoichi
Faculty Of Medicine Teikyo University
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SUZUKI Yoshio
Faculty of Home Economics, Otsuma Women's University
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Iitaka Yoichi
Faculty of Pharmaceutical Science, The University of Tokyo
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