The Crystal and Molecular Structure of 5-Chloro-7-iodo-8-quinolinol, Chinoform

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概要

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• Isomorphous crystals of 5-chloro-7-iodo- and 5,7-dibromo-8-quinolinols have been examined by X-ray analysis. Both compounds crystallize in the monoclinic space group <I>P</I>2⁄<I>a</I> with four formula units in the unit cell. The cell dimensions are: <I>a</I>=16.98; <I>b</I>=4.16; <I>c</I>=14.84 Å, and β=112.0° for 5-chloro-7-iodo-8-quinolinol, and <I>a</I>=16.34, <I>b</I>=4.02, <I>c</I>=15.52 Å, and β=115.6° for 5,7-dibromo-8-quinolinol. The structure of the former, chinoform, has been determined by the Patterson methods from data collected with Mo<I>K</I>α radiation on Weissenberg photographs, and refined by the block-diagonal least-squares method, with anisotropic temperature factors. The final <I>R</I> value is 0.081 for 836 observed reflections. The quinolinol molecule is nearly planar. In the crystals, the molecules related by two-fold axis are held together by hydrogen bonds to form bent dimers, which are stacked closely by van der Waals forces along the <I>b</I> axis.

• 公益社団法人 日本化学会の論文

著者

• Kashino Setsuo

  Department Of Chemistry Faculty Of Science Okayama University

• Haisa Masao

  Department of Chemistry Faculty of Science Kwansei Gakuin University

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