The crystal and molecular structures of 2,2,4,6-tetraphenyldihydro-1,3,5-triazine aceton solvate and 2-propanol solvate.

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概要

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• The crystal and molecular structures of 2,2,4,6-tetraphenyldihydro-1,3,5-triazine acetone solvate (<B>1</B>) which turns red on exposure to UV light, and 2-propanol solvate (<B>2</B>) which shows no photocoloration, have been determined by the X-ray method. The crystals of both inclusion compounds are monoclinic. For <B>1</B> the space group is <I>P</I>2<SUB>1</SUB>⁄<I>n</I>; <I>Z</I>=4, with <I>a</I>=16.385(2), <I>b</I>=11.987(2), <I>c</I>=12.939(2) Å, and β=92.24(2)°. For <B>2</B> the space group is <I>C</I>2⁄<I>c</I>; <I>Z</I>=8, with <I>a</I>=21.967(3), <I>b</I>=13.418(1), <I>c</I>=19.576(4) Å, and β=118.73(1)°. The final <I>R</I> values were 0.082 and 0.083 for <B>1</B> and <B>2</B> respectively. In both crystals, the dihydrotriazine ring exists in 2,3-dihydro form, which is one of the two possible tautomeric forms. In <B>1</B> each acetone molecule interacts with only one molecule of tetraphenyldihydrotriazine by N(3)–H(3)···O hydrogen bond, while in <B>2</B> tetraphenyldihydrotriazine and 2-propanol molecules are alternately connected by N(3)–H(3)···O and N(5)···H–O hydrogen bonds to construct a ribbon-like structure. It was suggested that the N(3)–H(3)···O–H···N(5) hydrogen bonds which exist in <B>2</B> but not in <B>1</B> inhibit photocoloration of <B>2</B>.

• 公益社団法人 日本化学会の論文

著者

• OHASHI Yuji

  Department of Chemistry and Materials Science Tokyo Institute of Technology

• Mori Yukie

  Department Of Applied Chemistry Faculty Of Science And Engineering Chuo University

• Maeda Koko

  Department Of Chemistry Faculty Of Science Ochanomizu University

• Ohashi Yuji

  Department of Chemistry, Faculty of Science, Ochanomizu University

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