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The crystal structure of 4-chloro-2-methyl-6-oxo-3,6-dideuteropyrimidin-1-ium chloride exhibits unusual angles about an  sp   2  C atom, which are confirmed by theoretical calculations.

Structural and theoretical studies of 4-chloro-2-methyl-6-oxo-3,6-dideuteropyrimidin-1-ium chloride (d 6)