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6-Hy-droxy-7,8-dimethyl-chroman-2-one.

ABSTRACT: The title compound, C(11)H(12)O(3), is essentially planar, with an r.m.s. deviation of 0.179?Å from the mean plane through the 14 non-H atoms in the mol-ecule. The benzene ring and the pyranone mean plane are inclined at 13.12?(6)° to one another and the pyran-one ring adopts a flattened chair conformation. In the crystal, O-H?O hydrogen bonds and C-H?O contacts form R(1) (2)(6) rings and link mol-ecules into chains along b. Additional C-H?O contacts generate inversion dimers, with R(2) (2)(8) ring motifs, and form sheets parallel to (-102) which are linked by C-H?? interactions.

SUBMITTER: Goswami SK

PROVIDER: S-EPMC3414271 | biostudies-other | 2012 Aug

REPOSITORIES: biostudies-other

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6-Hy-droxy-7,8-dimethyl-chroman-2-one.

Goswami Shailesh K SK Hanton Lyall R LR McAdam C John CJ Moratti Stephen C SC Simpson Jim J

Acta crystallographica. Section E, Structure reports online 20120704 Pt 8

The title compound, C(11)H(12)O(3), is essentially planar, with an r.m.s. deviation of 0.179 Å from the mean plane through the 14 non-H atoms in the mol-ecule. The benzene ring and the pyranone mean plane are inclined at 13.12 (6)° to one another and the pyran-one ring adopts a flattened chair conformation. In the crystal, O-H⋯O hydrogen bonds and C-H⋯O contacts form R(1) (2)(6) rings and link mol-ecules into chains along b. Additional C-H⋯O contacts generate inversion dimers, with R(2) (2)(8) r ...[more]

PMID: 22904804

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