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5-(4-Methoxy-5-methyl-6-oxo-6H-pyran-2-yl)-3-methylhexa-2,4-dienoic acid

✍ Scribed by Bloor, Stephen J. ;Crump, Douglas R. ;Gainsford, Graeme J.

Publisher: International Union of Crystallography
Year: 2007
Tongue: English
Weight: 307 KB
Volume: 63
Category: Article
ISSN: 1600-5368
DOI: 10.1107/s160053680705698x

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✦ Synopsis

The nearly planar molecule of the fungal metabolite infectopyrone, C 14 H 16 O 5 , with an r.m.s. deviation of 0.040 (2) A ˚from the plane through all atoms, is linked tail-to-tail by strong O-HÁ Á ÁO hydrogen bonds into dimers. Weaker C-HÁ Á ÁO hydrogen bonds link the pyran-2-one 'head' groups.

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Single-crystal X-ray study T = 298 K Mean (C-C) = 0.003 A R factor = 0.044 wR factor = 0.125 Data-to-parameter ratio = 12.7 For details of how these key indicators were automatically derived from the article, see http://journals.iucr.org/e.