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Crystal structure of 1-(2,4-dihy-droxy-6-methyl-phen-yl)ethanone.

ABSTRACT: The title compound, C9H10O3, is a bioactive secondary metabolite, isolated from the endophytic fungus Nodulisporium sp. The compound exhibits an intra-molecular O-H?O hydrogen bond between the phenolic H atom and the carbonyl O atom of the adjacent acetyl group. In the crystal, mol-ecules are linked by hydrogen bonds involving the 4-phenolic H atom and a symmetry-related carbonyl O atom of a neighboring mol-ecule, resulting in extended supra-molecular chains along the a-axis direction. Aromatic ?-? stacking inter-actions between the nearly parallel benzene rings of adjacent chains [centroid-centroid distance = 3.7478?(8)?Å] further stabilize the three-dimensional supra-molecular framework.

SUBMITTER: Prabpai S

PROVIDER: S-EPMC4571424 | biostudies-literature | 2015 Aug

REPOSITORIES: biostudies-literature

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Crystal structure of 1-(2,4-dihy-droxy-6-methyl-phen-yl)ethanone.

Prabpai Samran S Kongsaeree Palangpon P

Acta crystallographica. Section E, Crystallographic communications 20150729 Pt 8

The title compound, C9H10O3, is a bioactive secondary metabolite, isolated from the endophytic fungus Nodulisporium sp. The compound exhibits an intra-molecular O-H⋯O hydrogen bond between the phenolic H atom and the carbonyl O atom of the adjacent acetyl group. In the crystal, mol-ecules are linked by hydrogen bonds involving the 4-phenolic H atom and a symmetry-related carbonyl O atom of a neighboring mol-ecule, resulting in extended supra-molecular chains along the a-axis direction. Aromatic ...[more]

PMID: 26396824

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