• Title of article

    Synthesis, crystal structure and spectroscopic and Hirshfeld surface analysis of 4-hy­dr­oxy-3-meth­­oxy-5-nitro­benzaldehyde

  • Author/Authors

    Vusak,Vitomir PLIVA Croatia Ltd., Croatia , Vusak, Darko Department of Chemistry - Faculty of Science - University of Zagreb, Croatia , Molcanov, Kresimir Department of Physical Chemistry - Ruđer Bošković Institute, Croatia , Ernest, Mestrovic PLIVA Croatia Ltd., Croatia

  • Pages
    10
  • From page
    1
  • To page
    10
  • Abstract
    The title compound, C8H7NO5, is planar with an r.m.s. deviation for all non-hydrogen atoms of 0.018 Å. An intra­molecular O—H⋯O hydrogen bond involving the adjacent hy­droxy and nitro groups forms an S(6) ring motif. In the crystal, mol­ecules are linked by O—H⋯O hydrogen bonds, forming chains propagating along the b-axis direction. The chains are linked by C—H⋯O hydrogen bonds, forming layers parallel to the bc plane. The layers are linked by a further C—H⋯O hydrogen bond, forming slabs, which are linked by C=O⋯π inter­actions, forming a three-dimensional supra­molecular structure. Hirshfeld surface analysis was used to investigate inter­molecular inter­actions in the solid state. The mol­ecule was also characterized spectroscopically and its thermal stability investigated by differential scanning calorimetry and by thermogravimetric analysis.
  • Keywords
    crystal structure , entacapone , hydrogen bonding , Hirshfeld surface analysis
  • Journal title
    Acta Crystallographica Section E: Crystallographic Communications
  • Serial Year
    2020
  • Record number

    2624461