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(Z)-Ethyl 2-hy-droxy-4-oxo-4-(1,4,5,6,8-penta-meth-oxy-naphthalen-2-yl)but-2-enoate.

ABSTRACT: 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?? and C-H?O inter-actions are present within and between the layers.

SUBMITTER: Pillay A

PROVIDER: S-EPMC3588284 | biostudies-literature | 2013 Jan

REPOSITORIES: biostudies-literature

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(Z)-Ethyl 2-hy-droxy-4-oxo-4-(1,4,5,6,8-penta-meth-oxy-naphthalen-2-yl)but-2-enoate.

Pillay Adushan A Khorasani Sanaz S de Koning Charles B CB

Acta crystallographica. Section E, Structure reports online 20121208 Pt 1

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 pa ...[more]

PMID: 23476437

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