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The chalcone derivative (E)-1-(4-fluoro-phen-yl)-3-(4-hy-droxy-3-meth-oxy-phen-yl)prop-2-en-1-one monohydrate.

ABSTRACT: The title compound, C16H13FO3·H2O, has a cis disposition of the carbonyl and olefin bonds about the enone single bond. The arene rings are inclined to one another by 10.05?(6)?Å. In the crystal, mol-ecules are linked via O-H?O hydrogen bonds involving the water mol-ecules, forming loops which are, in turn, linked via O-H.·O and C-H?F hydrogen bonds, forming sheets lying parallel to (103). These networks are linked via ?-? inter-actions [centroid-centroid distance = 3.641?(1)?Å] involving inversion-related 4-fluoro-phenyl and 4-hy-droxy-3-meth-oxy-phenyl rings.

SUBMITTER: Payton-Stewart F 

PROVIDER: S-EPMC3629610 | biostudies-literature | 2013 Apr

REPOSITORIES: biostudies-literature

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The chalcone derivative (E)-1-(4-fluoro-phen-yl)-3-(4-hy-droxy-3-meth-oxy-phen-yl)prop-2-en-1-one monohydrate.

Payton-Stewart Florastina F   Ravi Kiran Pingali Subramanya S   Donahue James P JP  

Acta crystallographica. Section E, Structure reports online 20130323 Pt 4

The title compound, C16H13FO3·H2O, has a cis disposition of the carbonyl and olefin bonds about the enone single bond. The arene rings are inclined to one another by 10.05 (6) Å. In the crystal, mol-ecules are linked via O-H⋯O hydrogen bonds involving the water mol-ecules, forming loops which are, in turn, linked via O-H.·O and C-H⋯F hydrogen bonds, forming sheets lying parallel to (103). These networks are linked via π-π inter-actions [centroid-centroid distance = 3.641 (1) Å] involving inversi  ...[more]

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