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Crystal structure, DFT and Hirshfeld surface analysis of (E)-N'-[(1-chloro-3,4-di-hydro-naph-thal-en-2-yl)methyl-idene]benzohydrazide monohydrate.
Arjun, H A; Anil Kumar, G N; Elancheran, R; Kabilan, S.
  • Arjun HA; Drug Discovery Lab, Department of Chemistry, Annamalai University, Chidambaram 608002, Tamil Nadu, India.
  • Anil Kumar GN; Department of Physics, Ramaiah Institute of Technology, Bengaluru 560054, India.
  • Elancheran R; Drug Discovery Lab, Department of Chemistry, Annamalai University, Chidambaram 608002, Tamil Nadu, India.
  • Kabilan S; Drug Discovery Lab, Department of Chemistry, Annamalai University, Chidambaram 608002, Tamil Nadu, India.
Acta Crystallogr E Crystallogr Commun ; 76(Pt 2): 132-136, 2020 Feb 01.
Article en En | MEDLINE | ID: mdl-32071734
ABSTRACT
In the title compound, C18H15ClN2O·H2O, a benzohydrazide derivative, the dihedral angle between the mean plane of the di-hydro-naphthalene 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 mol-ecules, 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.
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