(Z)-Ethyl 2-hydroxy-4-oxo-4-(1,4,5,6,8-pentamethoxynaphthalen-2-yl)but-2-enoate
نویسندگان
چکیده
The title compound, C21H24O9, crystallizes with two independent mol-ecules in the asymmetric unit which are almost centrosymmetrically related to each other. The ethano-ate group in one of the two mol-ecules is disordered over two positions with a site-occupation factor of 0.880 (7) for the major occupied site. In the crystal, the 1,3-diketone group exists in the keto-enol isomeric form due to the stabilizing effect of the intra-molecular O-H⋯O hydrogen bond present in this form. The compound packs as a layered structure in which C-H⋯π and C-H⋯O inter-actions are present within and between the layers.
منابع مشابه
Crystal structures of four δ-keto esters and a Cambridge Structural Database analysis of cyano-halogen interactions.
The revived interest in halogen bonding as a tool in pharmaceutical cocrystals and drug design has indicated that cyano-halogen interactions could play an important role. The crystal structures of four closely related δ-keto esters, which differ only in the substitution at a single C atom (by H, OMe, Cl and Br), are compared, namely ethyl 2-cyano-5-oxo-5-phenyl-3-(piperidin-1-yl)pent-2-enoate, ...
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