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Vadimezan: 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid.

ABSTRACT: In the title mol-ecule, C(17)H(14)O(4), the C atom of the carboxyl group deviates by 1.221?(3)?Å from the plane [maximum deviation = 0.0122(2)?Å] of the tricycic ring system. In the crystal structure, inter-molecular O-H?O hydrogen bonds link the mol-ecules into centrosymmetric dimers, and ?-? inter-actions [centroid-centroid distances = 3.491?(3), 3.591?(3), 3.639?(3) and 3.735?(3)?Å] link these dimers into layers parallel to the ac plane. Weak inter-molecular C-H?O inter-actions further consolidate the crystal packing.

SUBMITTER: Zhang SJ

PROVIDER: S-EPMC3007383 | biostudies-literature | 2010

REPOSITORIES: biostudies-literature

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Vadimezan: 2-(5,6-dimethyl-9-oxo-9H-xanthen-4-yl)acetic acid.

Zhang Shi-Jie SJ Hu Wei-Xiao WX

Acta crystallographica. Section E, Structure reports online 20100721 Pt 8

In the title mol-ecule, C(17)H(14)O(4), the C atom of the carboxyl group deviates by 1.221 (3) Å from the plane [maximum deviation = 0.0122(2) Å] of the tricycic ring system. In the crystal structure, inter-molecular O-H⋯O hydrogen bonds link the mol-ecules into centrosymmetric dimers, and π-π inter-actions [centroid-centroid distances = 3.491 (3), 3.591 (3), 3.639 (3) and 3.735 (3) Å] link these dimers into layers parallel to the ac plane. Weak inter-molecular C-H⋯O inter-actions further consol ...[more]

PMID: 21588382

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