Crystal structure of (E)-5,5-dimethyl-2-[3-(4-nitrophenyl)allylidene]cyclohexane-1,3-dione

Abstract

In the title compound, C17H17NO4, the cylohexane-1,3-dione ring adopts an envelope conformation with the dimethyl-subsituted C atom as the flap. Its mean plane is inclined to the benzene ring by 7.99 (19)°. The molecule has a trans conformation about the bridging C=C bonds of the allyidene chain. In the crystal, molecules are linked via pairs of C—H...O hydrogen bonds, forming inversion dimers. The dimers are linked by further C—H.·O hydrogen bonds, forming sheets lying parallel to (10-1).

Keywords

• crystal structure
• cyclohexane-1,3-dione
• dimedone