Abstract
In the title compound, alternatively called α-hydroxy-γ-alkylidenebutenolide, C12H16O3, two independent molecules (A and B) crystallize in the asymmetric unit in each of which the 5,6-dihydrobenzo ring has an envelope conformation. The torsion angle along the butadiene chain in the γ-alkylidenebutenolide core is −177.9 (2)° for molecule A and 179.9 (2)° for molecule B. In the crystal, O—H⋯O hydrogen bonds between hydroxyl and carbonyl groups of adjacent independent molecules form dimers with R 2 2(10) loops.
Highlights
In the title compound, alternatively called -hydroxyalkylidenebutenolide, C12H16O3, two independent molecules (A and B) crystallize in the asymmetric unit in each of which the 5,6-dihydrobenzo ring has an envelope conformation
H atoms treated by a mixture of independent and constrained refinement
This work was financed by DID–USB
Summary
Key indicators: single-crystal X-ray study; T = 150 K; mean (C–C) = 0.003 A; R factor = 0.037; wR factor = 0.103; data-to-parameter ratio = 10.0. Alternatively called -hydroxyalkylidenebutenolide, C12H16O3, two independent molecules (A and B) crystallize in the asymmetric unit in each of which the 5,6-dihydrobenzo ring has an envelope conformation. O—HÁ Á ÁO hydrogen bonds between hydroxyl and carbonyl groups of adjacent independent molecules form dimers with R22(10) loops. For the synthesis of -alkylidenebutenolides, see: Park et al (2012); Almeida et al (2010); Xu et al (2007); Langer et al (2000, 2001). See: Schneider & Viljoen (1997); Langer & Saleh (2000).
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