F. Takusagawa, K. Hirotsu, A. Shimada
Aug 1, 1973
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0
Influential Citations
20
Citations
Journal
Bulletin of the Chemical Society of Japan
Abstract
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 P21/c and with cell dimensions of a=7.421, b=12.729, c=7.850 A, and β=116.96°. The crystal structure was solved by the inspection of a Patterson map. The final R 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 C2V 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 molecu...