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3-Acetyl-5-hy-droxy-2-methyl-anthra[1,2-b]furan-6,11-dione.

ABSTRACT: The asymmetric unit of the title compound, C(19)H(12)O(5), contains two independent mol-ecules, both slightly buckled along an axis passing through the C=O bonds of the anthraquinone ring system (r.m.s. deviation of non-H atoms = 0.082 and 0.148?Å): the benzene rings are twisted to each other by 4.3?(3)°in one mol-ecule and 10.6(3)° in the other. In both mol-ecules, the hy-droxy group forms an intra-molecular O-H?O hydrogen bond. The two independent mol-ecules inter-act by ?-? stacking with a centroid-centroid distance of 3.539?(2)?Å between hy-droxy-benzene rings of adjacent mol-ecules.

SUBMITTER: Ahmad R

PROVIDER: S-EPMC3089359 | biostudies-literature | 2011 May

REPOSITORIES: biostudies-literature

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3-Acetyl-5-hy-droxy-2-methyl-anthra[1,2-b]furan-6,11-dione.

Ahmad Rohaya R Jeinie Mohamad Faiz MF Ismail Nor Hadiani NH Hazni Hazrina H Ng Seik Weng SW

Acta crystallographica. Section E, Structure reports online 20110416 Pt 5

The asymmetric unit of the title compound, C(19)H(12)O(5), contains two independent mol-ecules, both slightly buckled along an axis passing through the C=O bonds of the anthraquinone ring system (r.m.s. deviation of non-H atoms = 0.082 and 0.148 Å): the benzene rings are twisted to each other by 4.3 (3)°in one mol-ecule and 10.6(3)° in the other. In both mol-ecules, the hy-droxy group forms an intra-molecular O-H⋯O hydrogen bond. The two independent mol-ecules inter-act by π-π stacking with a ce ...[more]

PMID: 21754452

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