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Crystal structure and Hirshfeld surface analysis of (±)- N '-(2-hy-droxy-3-meth-oxy-benzyl-idene)-2-(4-iso-butyl-phen-yl)propionohydrazide.

Shaaban K MohamedJoel T MagueMehmet AkkurtLaila H Abdel-RahmanMohamed Abdel-HameedMustafa R AlbayatiElham A Al-Taif
Published in: Acta crystallographica. Section E, Crystallographic communications (2022)
The title mol-ecule, C 21 H 26 N 2 O 3 , adopts a V-shaped conformation and is chiral at the C atom with methyl group attached at the common cut of the edges of the V-conformation and crystallizes as a racemate. It also contains an intra-molecular O-H⋯N hydrogen bond. In the crystal, N-H⋯O hydrogen bonds form chains of mol-ecules extending along the c -axis direction, together with normal van der Waals contacts. The roles of the various inter-molecular inter-actions were clarified by Hirshfeld surface analysis, which reveals that the most important contributions to the crystal packing are from H⋯H (62.6%), C⋯H/H⋯C (15.8%) and O⋯H/H⋯O (15.3%) contacts.
Keyphrases
  • crystal structure
  • single molecule
  • molecular dynamics
  • solid state
  • electron transfer