• Title of article

    A metastable polymorphic form of the anti­fungal anilino­pyrimidine active pyrimethanil

  • Author/Authors

    Eberlin, Alex R. Johnson Matthey, Pharmorphix - 250 Cambridge Science Park , England , Frampton, Christopher S. Wolfson Centre for Materials Processing - Brunel University London, England

  • Pages
    14
  • From page
    1
  • To page
    14
  • Abstract
    A second metastable form of the title compound, C12H13N3 (systematic name: 4,6-dimethyl-N-phenyl­pyrimidin-2-amine), was isolated from an attempted co-crystallization experiment with meso-erythriol in dimethyl sulfoxide (DMSO). The crystals of form 2 at 120 K are monoclinic, space group P21/n with Z′ = 4 compared to the previously reported triclinic form with Z′ = 2 [Sun et al. (2011[Sun, X.-H., Li, J., Liu, Y. & Ma, H.-X. (2011). Acta Chim. Sin. 69, 1909-1914.]). Acta Chim. Sin. 69, 1909–1914]. The four independent mol­ecules in the asymmetric unit form two discrete dimeric units through a concerted pair of N—H⋯N hydrogen bonds with a graph-set notation of R22(8). The origin of the polymorphic behaviour is revealed in that the conformation of each dimer present in the asymmetric unit of the structure is unique and determined by the rotation of the second mol­ecule in the dimer with respect to the first.
  • Keywords
    crystal structure , polymorphism , pyrimethanil , hydrogen bonding
  • Journal title
    Acta Crystallographica Section E: Crystallographic Communications
  • Serial Year
    2017
  • Record number

    2621967