The crystal and molecular structure of syn-(2.2)(1,4)-anthracenophane and its photoisomer.

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概要

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• Molecular structure of <I>syn</I>-[2.2](1,4)anthracenophane (<B>1</B>) and its photoisomer (<B>2</B>) have been determined by means of X-ray diffraction; <B>1</B>, monoclinic, space group A2, <I>a</I>=25.539(2), <I>b</I>=8.152(1), <I>c</I>=20.561(3) Å, β=106.03(1)° (−149°C), <I>Z</I>=8; <B>2</B>, monoclinic, space group P2<SUB>1</SUB>/c, <I>a</I>=8.065(6), <I>b</I>=12.963(9), <I>c</I>=19.580(5) Å, β=91.46(5)°, <I>Z</I>=4. The structure of <B>1</B> was solved by the vector search method and <B>2</B> by the direct method. Both structures were refined including all hydrogen atoms by the block-diagonal least-squares procedure: <I>R</I>=0.053 and 0.043 for 4413 and 2003 observed reflections for <B>1</B> and <B>2</B>, respectively. Two anthracene nuclei, connected by ethylene bridges at the 1 and 4 positions, in each of the two independent molecules (A and B) of <B>1</B> are approximately parallel. However, their overlappings differ slightly. In the photoisomer <B>2</B> the two anthracene nuclei are bound by newly formed bonds at the 9 and 10 positions: bond distances are 1.628(5) and 1.637(5) Å whereas the corresponding nonbonded distance in <B>1</B> are 3.312(6) and 3.301(6) Å (A molecule) and 3.357(6) and 3.366(6) Å (B molecule).

• 公益社団法人 日本化学会の論文

著者

• Misumi Soichi

  The Institute Of Scientific And Industrial Research Osaka University

• Kasai Nobutami

  Department Of Applied Biological Science Tokyo University Of Science

• Toyoda Toshihiro

  The Institute of Scientific and Industrial Research, Osaka University

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