Login / Signup

Crystal structure and Hirshfeld surface analysis of di-iodido-{N'-[(E)-(phen-yl)(pyridin-2-yl-κN)methylidene]pyridine-2-carbohydrazide-κ2 N',O}cadmium(II).

Zeliha AtioğluFarhad Akbari AfkhamiMehmet AkkurtAli Akbar KhandarDuane Choquesillo-Lazarte
Published in: Acta crystallographica. Section E, Crystallographic communications (2019)
In each of the two independent mol-ecules in the asymmetric unit of the title compound, [CdI2(C18H14N4O)], the N,O,N'-tridentate N'-[(E)-(phen-yl)(pyridin-2-yl-κN)methyl-idene]pyridine-2-carbohydrazide ligand and two iodide anions form an I2N2O penta-coordination sphere, with a distorted square-pyramidal geometry, with an I atom in the apical position. Both mol-ecules feature an intra-molecular N-H⋯N hydrogen bond. In the crystal, weak aromatic π-π stacking inter-actions [centroid-centroid separation = 3.830 (2) Å] link the mol-ecules into dimers.
Keyphrases
  • crystal structure
  • machine learning
  • ionic liquid
  • deep learning
  • molecular dynamics
  • risk assessment
  • liquid chromatography
  • single molecule
  • mass spectrometry
  • neural network
  • electron transfer
  • transition metal