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3-Benzyl-2H-chromen-2-one.

ABSTRACT: The title compound, C(16)H(12)O(2), is a coumarin which was isolated from stones of the Chinese traditional medicine Clausena lansium. The pyrone ring is almost planar, with a mean deviation of 0.0135?(4)?Å. The benzene ring (A) of the benzopyrone unit forms dihedral angles of 1.82?(5) and 72.86?(2)° with the pyrone ring and the substituent benzene ring, respectively. The crystal structure is stabilized by weak ?-? stacking inter-actions, with a minimum centroid-centroid distance between benzene rings of 3.6761?(7)?Å.

SUBMITTER: Li GQ

PROVIDER: S-EPMC3344613 | biostudies-literature | 2012 May

REPOSITORIES: biostudies-literature

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3-Benzyl-2H-chromen-2-one.

Li Guo-Qiang GQ Li Yao-Lan YL Jiang Tao T Jiang Ren-Wang RW Wang Guo-Cai GC

Acta crystallographica. Section E, Structure reports online 20120421 Pt 5

The title compound, C(16)H(12)O(2), is a coumarin which was isolated from stones of the Chinese traditional medicine Clausena lansium. The pyrone ring is almost planar, with a mean deviation of 0.0135 (4) Å. The benzene ring (A) of the benzopyrone unit forms dihedral angles of 1.82 (5) and 72.86 (2)° with the pyrone ring and the substituent benzene ring, respectively. The crystal structure is stabilized by weak π-π stacking inter-actions, with a minimum centroid-centroid distance between benzene ...[more]

PMID: 22590375

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