The crystal and molecular structure of palythine trihydrate.

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概要

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• The molecular structure of palythine, C<SUB>10</SUB>H<SUB>16</SUB>N<SUB>2</SUB>O<SUB>5</SUB>, has been confirmed by means of an X-ray crystal analysis of its trihydrate. The crystals are monoclinic, with two formula units in a unit cell with dimensions of <I>a</I>=10.499, <I>b</I>=12.812, <I>c</I>=5.322 Å, and β=98.53°; the space group is P2<SUB>1</SUB>. 1377 unique intensity data were collected on a four-circle diffractometer with LiF-monochromated Cu <I>K</I>α radiation. The structure was solved by the Monte Carlo direct method, using the 20 strongest reflections as a starting set, and was refined by the block-diagonal least-squares method. The final <I>R</I> value was 3.1%. The molecular structure thus obtained corresponds to that proposed by Tsujino <I>et al.</I> and Takano <I>et al.</I> on the basis of the chemical evidence. Palythine exists as a zwitter ion in the crystal. The palythine and water molecules are connected by twelve types of hydrogen bonds, forming a three-dimensional hydrogen-bonded structure.

• 公益社団法人 日本化学会の論文

著者

• Matsumoto Takeshi

  Department Of Biology Faculty Of Science Kumamoto University

• FURUSAKI Akio

  Department of Chemistry, Faculty of Science, Hokkaido University

• Sekikawa Isao

  Institute of Immunological Science, Hokkaido University

• Tsujino Isami

  Department of Chemistry, Faculty of Fisheries, Hokkaido University

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