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

Lookup NU author(s): Gary Nichol, Emeritus Professor Bill CleggORCiD


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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. © 2005 International Union of Crystallography Printed in Great Britain - all rights reserved.

Publication metadata

Author(s): Nichol GS, Clegg W

Publication type: Article

Publication status: Published

Journal: Acta Crystallographica Section E: Structure Reports Online

Year: 2005

Volume: 61

Issue: 4

Pages: o1004-o1006

Print publication date: 01/04/2005

ISSN (electronic): 1600-5368

Publisher: Wiley


DOI: 10.1107/S1600536805007531


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