• Title of article

    Crystal structure and Hirshfeld surface analysis of 2-amino­pyridinium hydrogen phthalate

  • Author/Authors

    Siva,V. Department of Physics - School of Advanced Sciences - Kalasalingam Academy of Research and Education,India , Suresh, M. Department of Physics - Er. Perumal Manimekalai College of Engineering, India , Athimoolam, S. Department of Physics - University College of Engineering - Anna University,India , Asath Bahadur, S. Department of Physics - School of Advanced Sciences - Kalasalingam Academy of Research and Education,India

  • Pages
    9
  • From page
    1
  • To page
    9
  • Abstract
    Amino­pyridine and phthalic acid are well known synthons for supra­molecular architectures for the synthesis of new materials for optical applications. The 2-amino­pyridinium hydrogen phthalate title salt, C5H7N2+·C8H5O4−, crystallizes in the non-centrosymmetric space group P21. The nitro­gen atom of the –NH2 group in the cation deviates from the fitted pyridine plane by 0.035 (7) Å. The plane of the pyridinium ring and phenyl ring of the anion are oriented at an angle of 80.5 (3)° to each other in the asymmetric unit. The anion features a strong intra­molecular O—H⋯O hydrogen bond, forming a self-associated S(7) ring motif. The crystal packing is dominated by inter­molecular N—H⋯O hydrogen bonds leading to the formation of 21 helices, with a C(11) chain motif. They propagate along the b axis and enclose R22(8) ring motifs. The helices are linked by C—H⋯O hydrogen bonds, forming layers parallel to the ab plane. Hirshfeld surface analysis and two-dimensional fingerprint plots were used to investigate and qu­antify the inter­molecular inter­actions in the crystal.
  • Keywords
    crystal structure , organic salt , hetero-synthon , NLO , hydrogen bonding , Hirshfeld surface analysis
  • Journal title
    Acta Crystallographica Section E: Crystallographic Communications
  • Serial Year
    2019
  • Record number

    2624824