Crystal structure of 1-(2,4-dihy­droxy-6-methyl­phen­yl)ethanone

Acta Crystallographica Section E: Crystallographic Communications

Kongsaeree, P.¹  Prabpai, S.¹ 

[1] Department of Chemistry, and Center for Excellence in Protein Structure and Function, Faculty of Science, Mahidol University, Bangkok 10400, Thailand

关键词: CRYSTAL STRUCTURE;    1-(2,4-DIHYDROXY-6-METHYLPHENYL)ETHANONE;    BIOACTIVE SECONDARY METABOLITE;    HYDROGEN BONDING;    [PI]-[PI] STACKING;   

DOI  :  10.1107/S2056989015013468

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The title compound, C9H10O3, is a bioactive secondary metabolite, isolated from the endophytic fungus Nodulisporium sp. The compound exhibits an intra­molecular O—H⋯O hydrogen bond between the phenolic H atom and the carbonyl O atom of the adjacent acetyl group. In the crystal, mol­ecules are linked by hydrogen bonds involving the 4-phenolic H atom and a symmetry-related carbonyl O atom of a neighboring mol­ecule, resulting in extended supra­molecular chains along the a-axis direction. Aromatic π–π stacking inter­actions between the nearly parallel benzene rings of adjacent chains [centroid–centroid distance = 3.7478 (8) Å] further stabilize the three-dimensional supra­molecular framework.

【 授权许可】

CC BY