• Title of article

    Crystal structure, DFT and Hirshfeld surface analysis of (E)-N′-[(1-chloro-3,4-di­hydro­naph­thal­en-2-yl)methyl­­idene]benzohydrazide monohydrate

  • Author/Authors

    Arjun, H. A. Drug Discovery Lab - Department of Chemistry - Annamalai University, India , Kumar, G. N. Anil Department of Physics - Ramaiah Institute of Technology, India , Elancheran, R. Drug Discovery Lab - Department of Chemistry - Annamalai University, India , Kabilan, S. Drug Discovery Lab - Department of Chemistry - Annamalai University, India

  • Pages
    10
  • From page
    1
  • To page
    10
  • Abstract
    In the title compound, C18H15ClN2O·H2O, a benzohydrazide derivative, the dihedral angle between the mean plane of the di­hydro­naphthalene ring system and the phenyl ring is 17.1 (2)°. In the crystal, O—H⋯O, N—H⋯O and C—H⋯O hydrogen bonds link the benzohydrazide and water mol­ecules, forming a layer parallel to the bc plane. Hirshfeld surface analysis and two-dimensional fingerprint plots indicate that the most important contributions to the crystal packing are from H⋯H (45.7%) and H⋯C/C⋯H (20.2%) contacts.
  • Keywords
    crystal structure , benzohydrazide derivative , Hirshfeld surface analysis
  • Journal title
    Acta Crystallographica Section E: Crystallographic Communications
  • Serial Year
    2020
  • Full Text URL
    journals.iucr.org/e/issues/2020/02/00/is5528/is5528.pdf
  • Record number

    2624411

    • Link To Document
    https://search.isc.ac/dl/search/defaultta.aspx?DTC=10&DC=2624411