• Title of article

    Crystal structures of 6-chloro­indan-1-one and 6-bromo­indan-1-one exhibit different inter­molecular packing inter­actions

  • Author/Authors

    Caruso, Alessio Department of Chemistry - Vassar College, USA , Blair, Benjamin Department of Chemistry - Vassar College, USA , Tanski, Joseph M. Department of Chemistry - Vassar College, USA

  • Pages
    11
  • From page
    1
  • To page
    11
  • Abstract
    The two title compounds are analogs of 1-indanone that are substituted at the 6-position with chlorine and bromine. Although very similar in mol­ecular structure, the crystal structures are not isomorphous and reveal that 6-chloro­indan-1-one, C9H7ClO (I), and 6-bromo­indan-1-one, C9H7BrO (II), exhibit unique inter­molecular packing motifs. The mol­ecules of the chloro analog (I) pack with a herringbone packing motif of C—H⋯O inter­actions, whereas the bromo derivative (II) packs with offset face-to-face π-stacking, C—H⋯O, C—H⋯Br and Br⋯O inter­actions. Compound (II) was refined as a two-component non-merohedral twin, BASF 0.0762 (5).
  • Keywords
    crystal structure , haloindanones , π-stacking , C—H⋯X inter­actions
  • Journal title
    Acta Crystallographica Section E: Crystallographic Communications
  • Serial Year
    2016
  • Record number

    2619252