The Crystal Structure of Quinolinic Acid

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概要

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• The crystal structure of quinolinic acid (2,3-pyridinedicarboxylic acid) has been determined by the method of X-ray diffraction. The crystal is monoclinic, with a space group of P2<SUB>1</SUB>/c and with cell dimensions of <I>a</I>=7.421, <I>b</I>=12.729, <I>c</I>=7.850 Å, and β=116.96°. The crystal structure was solved by the inspection of a Patterson map. The final <I>R</I> value was 6.78% for 1224 observed reflections. The quinolinic acid molecule takes the form of a zwitter ion in the crystal. The pyridine ring in the molecules shows a significant deformation from the C<SUB>2V</SUB> symmetry of idealized geometry. The lengths of the two C–C bonds joining the carboxyl groups to the ring are longer than the normal value. There is an intramolecular hydrogen bond between the adjacent carboxyl groups. The bond lengths in the two C–O groups which participate in this intramolecular hydrogen bond are longer than those of the other two C–O groups. One of the two carbonyl oxygen atoms participates in a hydrogen bond, while the other is free from it. The molecules are arranged in layers closely parallel to the (0 1 0) plane. Each molecule on the same plane is hydrogen-bonded to form an endless chain along the <I>a</I> axis. These chains are packed by the van der Waals forces. The thermal diffuse scattering observed on Weissenberg photographs can be explained by this hydrogen-bond system.

• 公益社団法人 日本化学会の論文

著者

• Hirotsu Ken

  Department Of Chemistry Faculty Of Science Osaka City University

• Shimada Akira

  Department of Chemistry Faculty of Science Osaka City University

• Takusagawa Fusao

  Department of Chemistry, Faculty of Science, Osaka City University

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