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

✍ Scribed by Nichol, Gary S. ;Clegg, William

Book ID: 104483735
Publisher: International Union of Crystallography
Year: 2005
Tongue: English
Weight: 288 KB
Volume: 61
Category: Article
ISSN: 1600-5368
DOI: 10.1107/s1600536805007531

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✦ Synopsis

A low-temperature redetermination of the title compound, C 12 H 16 N 2 O 3 , 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-HÁ Á ÁO 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. organic papers o1006 Nichol and Clegg C 12 H 16 N 2 O 3

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✦ Synopsis

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