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
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
