Title of article :
Crystal structures of 2-acetyl-4-ethynylphenol and 2-acetyl-4-(3-hydroxy-3-methylbut-1-yn-1-yl)phenol
Author/Authors :
Hübscher, Jörg Institut für Organische Chemie - TU Bergakademie Freiberg, Germany , Rosin, Robert Institut für Organische Chemie - TU Bergakademie Freiberg, Germany , Seichter, Wilhelm Institut für Organische Chemie - TU Bergakademie Freiberg, Germany , Weber, Edwin Institut für Organische Chemie - TU Bergakademie Freiberg, Germany
Abstract :
In the title compounds, C10H8O2, (I), and C13H14O3, (II), the 2-acetyl-4-ethynylphenol unit displays a planar geometry, which is stabilized by an intramolecular O—H⋯O hydrogen bond. The crystal structure of (I) is constructed of infinite strands, along [101], of C—H⋯O=C hydrogen-bonded molecules, which in turn are linked by C—H⋯π interactions. In the crystal of (II), which crystallized with three independent molecules per asymmetric unit, the non-polar parts of the molecules form hydrophobic layered domains, parallel to (10-1), which are separated by the polar groups. While the 2-acetylphenol part of the molecules are involved in O—H⋯O=C hydrogen bonding, the ternary OH groups creates a cyclic pattern of O—H⋯O hydrogen bonds.
Keywords :
C—H⋯π interactions , hydrogen bonding , dimethylhydroxymethyl , crystal structure , 2-acetylphenol , ethynyl
Journal title :
Acta Crystallographica Section E: Crystallographic Communications