Login / Signup

Crystal structure of (E)-N'-[1-(4-amino-phen-yl)ethyl-idene]-2-hy-droxy-5-iodo-benzohydrazide methanol monosolvate.

Cong Nguyen TienHuong Le Thi ThuThin Nguyen VanTrung Vu QuocManh Vu QuocThang Pham ChienLuc Van Meervelt
Published in: Acta crystallographica. Section E, Crystallographic communications (2018)
In the title compound, C15H14IN3O2·CH3OH, two aromatic rings are linked by an N-substituted hydrazide function. The dihedral angle between the aromatic rings is 10.53 (8)°. The stereochemistry about the imine function is E. The methanol mol-ecule forms an O-H⋯O hydrogen bond to the hydrazide O atom. In the crystal, chains of mol-ecules running along the c-axis direction are formed by O-H⋯O hydrogen bonds. Adjacent chains are linked through N-H⋯O hydrogen bonds and π-π stacking inter-actions. The inter-molecular inter-actions in the crystal packing were investigated using Hirshfeld surface analysis, which indicated that the most significant contacts are H⋯H (38.2%), followed by C⋯H/H⋯C (20.6%), O⋯H/H⋯O (11.1%) and I⋯H/H⋯I (9.7%).
Keyphrases
  • crystal structure
  • amino acid
  • carbon dioxide
  • high resolution
  • molecular dynamics
  • molecular docking
  • room temperature
  • solid state
  • molecular dynamics simulations
  • electron transfer
  • high speed