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

Gary S. Nichol, William Clegg*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

Abstract / Description of output

A low-temperature redetermination of the title compound, C 12H16N2O3, 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-H⋯O 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.

Original languageEnglish
Pages (from-to)o1004-o1006
JournalActa Crystallographica Section E: Structure Reports Online
Volume61
Issue number4
DOIs
Publication statusPublished - Apr 2005

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