The crystal and molecular structure of pikromycin.

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概要

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• The detailed molecular geometry of pikromycin (C<SUB>28</SUB>H<SUB>47</SUB>NO<SUB>8</SUB>) has been examined by means of X-ray crystal analysis. The crystals are orthorhombic, with four molecules in a unit cell with dimensions of <I>a</I>=11.295, <I>b</I>=25.734, and <I>c</I>=10.509 Å; the space group is P2<SUB>1</SUB>2<SUB>1</SUB>2<SUB>1</SUB>. 2259 unique intensity data were collected on a four-circle diffractometer with graphite-monochromated Cu <I>K</I>α radiation. The structure was solved by the Monte Carlo direct method, using the 30 strongest reflections as the starting set; the 215th random phase set led to the correct solution. The <I>R</I> value reached 0.056 by block-diagonal least-squares refinements. The conformation of the fourteen-membered macrolide ring is considerably different from that of (<I>p</I>-bromobenzoyl) pikromycin in the solid state; <I>e.g.</I>, the C=C and C=O conjugated double bonds are cisoid in pikromycin, while they are transoid in the derivative. The molecules are held together through two kinds of intermolecular 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

• Ogura Haruo

  School Of Pharmaceutical Sciences Kitasato University

• Furuhata Kimio

  School Of Pharmaceutical Sciences Kitasato University

• Matsumoto Takeshi

  Department Of Biology Faculty Of Science Kumamoto University

• FURUSAKI Akio

  Department of Chemistry, Faculty of Science, Hokkaido University

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