Acta Cryst. (2005). E61, o1004-o1006  [ doi:10.1107/S1600536805007531 ]

5-(1-Cyclohexen-1-yl)-1,5-dimethylbarbituric acid (hexobarbitone): a low-temperature redetermination

G. S. Nichol and W. Clegg

Abstract: A low-temperature redetermination of the title compound, C₁₂H₁₆N₂O₃, more commonly known as hexobarbitone, is reported, with significantly improved precision. The crystal packing reveals an infinite hydrogen-bonded hexobarbitone chain linked by a single N-HO interaction, an extremely rare motif in barbiturate crystal packing. Unlike some other barbiturate crystal structures, there is no phase transition on cooling to 150  K.

Online 18 March 2005

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