Crystal structure, DFT and Hirshfeld surface analysis of (<i>E</i>)-<i>N</i>′-[(1-chloro-3,4-dihydronaphthalen-2-yl)methylidene]benzohydrazide monohydrate
H.A. Arjun, G. N. Anil Kumar, R. Elancheran, S. Kabilan
Abstract
In the title compound, C 18 H 15 ClN 2 O·H 2 O, 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.
Topics & Concepts
ChemistryDihedral angleHydrogen bondRing (chemistry)CrystallographyCrystal (programming language)Crystal structureMoleculeDerivative (finance)Plane (geometry)GeometryMathematicsOrganic chemistryEconomicsProgramming languageComputer scienceFinancial economicsCrystal structures of chemical compoundsSynthesis and biological activityCrystallography and molecular interactions