Crystal structure and Hirshfeld surface analysis of phenyl(5,7,8a-triphenyl-1,2,3,7,8,8a-hexahydroimidazo[1,2-a]pyridin-6-yl)methanone with an unknown solvent


Naghiyev F. N. , Mammadova G. Z. , Mamedov I. G. , Huseynova A. T. , Çelikesir S. T. , AKKURT M. , ...More

Acta Crystallographica Section E: Crystallographic Communications, vol.76, pp.1365-1368, 2020 (Journal Indexed in ESCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 76
  • Publication Date: 2020
  • Doi Number: 10.1107/s2056989020009871
  • Title of Journal : Acta Crystallographica Section E: Crystallographic Communications
  • Page Numbers: pp.1365-1368
  • Keywords: crystal structure, cycloaddition products, hexahydroimidazo[1,2-a]pyridine ring, SQUEEZE

Abstract

In the title compound, C32H28N2O, the imidazolidine and pyridine rings of the central hexahydroimidazo[1,2-a]pyridine ring system adopt envelope and screw-boat conformations, respectively. The molecule exhibits two weak intramolecular pi-pi interactions between phenyl rings. In the crystal, molecules are linked via pairs of C-H center dot center dot center dot O hydrogen bonds, forming inversion dimers. The dimers are further linked by pairs of C-H center dot center dot center dot pi interactions, forming infinite chains along the c-axis direction. A Hirshfeld surface analysis indicates that the most important contributions to the crystal packing are from H center dot center dot center dot H (73.4%), C center dot center dot center dot H/H center dot center dot center dot C (18.8%) and O center dot center dot center dot H/H center dot center dot center dot O (5.7%) contacts. The contribution of some disordered solvent to the scattering was removed using the SQUEEZE routine [Spek (2015). Acta Cryst. C71, 9-18] in PLATON. The solvent contribution was not included in the reported molecular weight and density.