The Crystal and Molecular Structure of Butein Monohydrate, Isolated from <I>Dahlia variabilis</I>
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概要
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The crystals of butein monohydrate isolated from <I>Dahlia variabilis</I> are monoclinic. The unit cell, with dimensions of <I>a</I>=10.89, <I>b</I>=28.88, <I>c</I>=4.29 Å, and β=96.7°, contains four molecules, and the space group is <I>P</I>2<SUB>1</SUB>/<I>n</I>. An approximate structure was obtained by applying the symbolic addition procedure. The structural parameters were refined by the block-diagonal least-squares method, and the final <I>R</I> factor for 1063 observed reflexions was 0.171. In the molecule, the C(7)–C(8) double bond and the C(9)–O(3) carbonyl group take the <I>s</I>-<I>cis</I> conformation with respect to the C(8)–C(9) single bond. The A phenyl group and the exocyclic atoms (C(7)∼O(3)) are nearly coplanar, and this plane makes a dihedral angle of 15.6° with that of the B phenyl group. The molecules build up a three-dimensional net through the hydrogen bonds. There is also an intramolecular hydrogen bond between O(3) and O(4).
- 公益社団法人 日本化学会の論文
著者
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Ueno Katsuhiko
Laboratory of Chemistry for Natural Products, Tokyo, Institute of Technology
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Sasada Yoshio
Laboratory of Chemistry for Natural Products, Faculty of Science, Tokyo Institute of Technology
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Saito Norio
Laboratory of Chemistry for Natural Products, Tokyo, Institute of Technology
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