Date Published: February 01, 2012
Publisher: International Union of Crystallography
Author(s): Mihaela-Liliana Tinţaş, Richard A. Varga, Ion Grosu, Elena Bogdan.
The title compound, C21H17ClO3, which crystallizes as one of two possible oxo/hydroxy-fulvene prototropic tautomers, possesses a strong intramolecular O—H⋯O hydrogen bond that closes a seven-membered ring. The dihedral angles between the central five-membered ring and two pendant rings are 55.05 (9) and 44.51 (10)°. The crystal packing is characterized by weak intermolecular C—H⋯O interactions between an H atom of the oxymethylene unit and the carbonyl group of an adjacent molecule, resulting in formation of chains of molecules along the a axis.
For the structures of related 2-acyl-6-hydoxyfulvene derivatives, see: Ferguson et al. (1975 ▶); Dong et al. (2004 ▶, 2006 ▶). For more information on the synthesis of 2-acyl-6-hydoxyfulvene derivatives, see: Dong et al. (2004 ▶, 2006 ▶). For preparation details, see: Christl et al. (1998 ▶). For compounds obtained from 2-acyl-6-hydoxyfulvenes, see: Dong et al. (2004 ▶); Li et al. (2008 ▶); Snyder et al. (2005 ▶). For complexes based on 2-acyl-6-hydoxyfulvenes, see: Dong et al. (2004 ▶, 2006 ▶); Wang et al. (2005 ▶). For their various applications, see: Hong et al. (2005 ▶); Kondo et al. (1992 ▶); Vicente et al. (1995 ▶).