Login / Signup

Synthesis, crystal structure and Hirshfeld surface analysis of di-μ 2 -iodido-bis-[(2,2'-bi-quinoline-κ 2 N , N ')copper(I)].

Ayalew W TemesgenAnton Petrovich NovikovAlexander G TskhovrebovEkaterina K KultyshkinaTuan Anh Le
Published in: Acta crystallographica. Section E, Crystallographic communications (2023)
The mol-ecular and crystal structures of the title compound, [Cu 2 I 2 (C 18 H 12 N 2 ) 2 ], were examined by single-crystal X-ray diffraction and Hirshfeld surface analysis. The Cu atom is coordinated in a distorted tetra-hedral geometry by two N atoms from the 2,2'-bi-quinoline ligands and the two μ 2 -bridging iodide ligands. The mol-ecules are in contact via π-π-stacking inter-actions. Hirshfeld surface analysis showed that the most important contributions to the inter-molecular inter-actions are H⋯H (39.7%), H⋯I/I⋯H (17.8%), C⋯H/H⋯C (17.5%), C⋯C (16.5%), N⋯C/C⋯N (3.9%) and N⋯H/H⋯N (3.5%).
Keyphrases
  • crystal structure
  • molecular docking
  • computed tomography
  • single molecule
  • escherichia coli
  • magnetic resonance
  • cystic fibrosis
  • molecular dynamics simulations
  • solid state