Login / Signup

Crystal structure and Hirshfeld surface analysis of 2-(2-hy-droxy-phen-yl)quinoline-6-sulfonamide.

Nesrine BenarousNabila Moussa SlimaneHassiba BougueriaMehdi BoutebdjaAouatef Cherouana
Published in: Acta crystallographica. Section E, Crystallographic communications (2022)
In the title compound, C 15 H 12 N 2 O 3 S, there are two mol-ecules ( A and B ) in the asymmetric unit. The attached phenol and quinoline moieties of each mol-ecule are almost coplanar with a dihedral angle of 6.05 (15)° for mol-ecule A and 1.89 (13)° for mol-ecule B . The crystal structure features N-H⋯O and C-H⋯O hydrogen bonds, C-H⋯π inter-actions and π-π stacking inter-actions. Hirshfeld surface analysis indicates that the most significant contacts in the crystal packing are C⋯H/H⋯C (29.2%), O⋯H/H⋯O (28.6%) and H⋯H (28.5%).
Keyphrases
  • crystal structure
  • molecular docking
  • high resolution
  • solid state
  • molecular dynamics simulations