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6-Methyl-2-pyridone pentahydrate

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

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Abstract

Crystals of the title compound, C6H7NO·5H 2O, were grown over a period of several weeks from an aqueous solution of the commercial compound. The molecule crystallizes in space group P1̄ and there are two independent 6-methyl-2-pyridone (Hmhp) molecules in the asymmetric unit, together with ten molecules of water. Packing diagrams reveal stacks of hydrogen-bonded Hmhp dimers surrounded by channels of water molecules. The Hmhp molecules pack with face-to-face π-π stacking, a common feature of pyridone crystal structures. Each water molecule serves twice as hydrogen-bond donor and twice as acceptor, and is thus pseudo-tetrahedral. The water molecules are arranged in hydrogen-bonded five- and six-membered rings and the rings are fused together, with the five-membered rings adopting an envelope conformation and the six-membered rings adopting either a chair or boat conformation. This structure is further evidence that Hmhp exists in the solid state as the pyridone tautomer and not the pyridinol tautomer. © 2004 International Union of Crystallography Printed in Great Britain - all rights reserved.


Publication metadata

Author(s): Clegg W, Nichol GS

Publication type: Article

Publication status: Published

Journal: Acta Crystallographica Section E: Structure Reports Online

Year: 2004

Volume: 60

Issue: 8

Pages: o1433-o1436

Print publication date: 01/08/2004

ISSN (electronic): 1600-5368

Publisher: Wiley-Blackwell

URL: http://dx.doi.org/10.1107/S1600536804018367

DOI: 10.1107/S1600536804018367


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