Acta Crystallographica Section C

Crystal Structure Communications

Volume 65, Part 6 (June 2009)

organic compounds

 

Concomitant polymorphism and conformational isomerism in 4-acetylresorcinol

P. G. Jones and I. I. Mangalagiu

Abstract: Two polymorphs of the title compound [systematic name: 1-(2,4-dihydroxyphenyl)ethanone], C₈H₈O₃, were investigated. The known structure [designated (I-M); P2₁/c, Z = 4; previously investigated at room temperature by Robert, Moore, Eichhorn & Rillema (2007). Acta Cryst. E63, o4252] was redetermined at low temperature, and a new form [(I-O); P2₁2₁2₁, Z = 12] was discovered in the same sample. In both forms, the molecules are planar (apart from the methyl H atoms) and they contain intramolecular O-HO=C hydrogen bonds. In polymorph (I-M), molecules are linked into chains by a single intermolecular O-HO hydrogen bond, and the chains are linked into sheets by two C-HO hydrogen bonds. Three O-HO hydrogen bonds link the molecules of polymorph (I-O) into chains and neighbouring chains are connected by one C-HO interaction to form an offset layer structure. Two weak methyl C-HO interactions link the layers.

Formula: Two polymorphs of C₈H₈O₃

	Structure factor file (CIF format) (105.7 kbytes) [ doi:10.1107/S0108270109017715/gd3292IMsup2.hkl ] Contains datablock IM
	Structure factor file (CIF format) (114.4 kbytes) [ doi:10.1107/S0108270109017715/gd3292IOsup3.hkl ] Contains datablock IO

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