• 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

  • Pages
    15
  • From page
    1
  • To page
    15
  • 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
  • Serial Year
    2016
  • Record number

    2618893