6-Methyl-2-pyridone pentahydrate

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

• Book ID: 104482338
• Publisher: International Union of Crystallography
• Year: 2004
• Tongue: English
• Weight: 414 KB
• Volume: 60
• Category: Article
• ISSN: 1600-5368
• DOI: 10.1107/s1600536804018367

✦ Synopsis

NOÁ5H 2 O, were grown over a period of several weeks from an aqueous solution of the commercial compound. The molecule crystallizes in space group P1 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 %±% 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 ®ve-and six-membered rings and the rings are fused together, with the ®ve-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.