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Crystal structure of 2-bromo-1,4-dihy-droxy-9,10-anthra-quinone.

ABSTRACT: In an attempt to brominate 1,4-diprop-oxy-9,10-anthra-quinone, a mixture of products, including the title compound, C14H7BrO4, was obtained. The mol-ecule is essentially planar (r.m.s. deviation = 0.029?Å) and two intra-molecular O-H?O hydrogen bonds occur. In the crystal, the mol-ecules are linked by weak C-H?O hydrogen bonds, Br?O contacts [3.240?(5)?Å], and ?-? stacking inter-actions [shortest centroid-centroid separation = 3.562?(4)?Å], generating a three-dimensional network.

SUBMITTER: Furukawa W

PROVIDER: S-EPMC4257177 | biostudies-literature | 2014 Oct

REPOSITORIES: biostudies-literature

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Crystal structure of 2-bromo-1,4-dihy-droxy-9,10-anthra-quinone.

Furukawa Wataru W Takehara Munenori M Inoue Yoshinori Y Kitamura Chitoshi C

Acta crystallographica. Section E, Structure reports online 20140927 Pt 10

In an attempt to brominate 1,4-diprop-oxy-9,10-anthra-quinone, a mixture of products, including the title compound, C14H7BrO4, was obtained. The mol-ecule is essentially planar (r.m.s. deviation = 0.029 Å) and two intra-molecular O-H⋯O hydrogen bonds occur. In the crystal, the mol-ecules are linked by weak C-H⋯O hydrogen bonds, Br⋯O contacts [3.240 (5) Å], and π-π stacking inter-actions [shortest centroid-centroid separation = 3.562 (4) Å], generating a three-dimensional network. ...[more]

PMID: 25484711

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