An X-ray crystallographic study supported by 1H n.m.r. provides unequivocal evidence that the chromogen formed from the reaction of malonaldehyde with 4,6-dihydroxy-2-mercaptopyrimidine (thiobarbituric acid) is the highly stable delocalised anion (2) from 5,5′-(propane-1,3-diylidene)bis-(2-thioxopyrimidine-4,6-dione).
G. Read, R. Randal, M. B. Hursthouse and R. Short, J. Chem. Soc., Perkin Trans. 2, 1988, 1103 DOI: 10.1039/P29880001103
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