Crystal and molecular structures of tetraisopropyl 1,1'-(1,8-naphthylene)-bis[1H-1,2,3-triazole-4,5-dicarboxylate] and diisopropyl 1-(1-naphthyl)-1H-1,2,3-triazole-4,5-dicarboxylate.

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概要

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• Molecular structures of the title compounds, which belong to the class of peri-substituted naphthalenes, have been determined by means of X-ray diffraction. Tetraisopropyl 1,1′-(1,8-naphthylene)bis[1<I>H</I>-1,2,3-triazole-4,5-dicarboxylate] (<B>1</B>), monoclinic, space group <I>C</I>2⁄<I>c</I>, <I>a</I>=35.034(3), <I>b</I>=9.717(1), <I>c</I>=18.504(1) Å, β=96.43(1)°, <I>Z</I>=8; Diisopropyl 1-(1-naphthyl)-1<I>H</I>-1,2,3-triazole-4,5-dicarboxylate (<B>2</B>), monoclinic, space group <I>P</I>2<SUB>1</SUB>⁄<I>n</I>, <I>a</I>=16.246(2), <I>b</I>=10.115(1), <I>c</I>=12.390(1) Å, β=96.67(1)°, <I>Z</I>=4. The dihedral angles between the mean plane of the naphthalene ring and that of the triazole ring are 88° and 85° for <B>1</B> and <B>2</B>, respectively. The naphthalene framework of <B>1</B> is much more distorted than that of <B>2</B> because of a steric repulsion between the two triazole rings with bulky ester groups of <B>1</B>.

• 公益社団法人 日本化学会の論文

著者

• NAGAWA Yoshinobu

  National Chemical Laboratory for Industry

• NAKANISHI Hiroshi

  National Chemical Laboratory for Industry

• HONDA Koichi

  National Chemical Laboratory for Industry

• Goto Midori

  National Chemical Laboratory for Industry

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