Crystal structure and Hirshfeld surface analysis of 5,7-diphenyl-1,2,3,5,6,7-hexahydroimidazo[1,2-a]-pyridine-6,6,8-tricarbonitrile methanol monosolvate


Naghiyev F. N. , Mammadova G. Z. , Khalilov A. N. , Atioglu Z., AKKURT M. , Akobirshoeva A. A. , ...More

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.77, pp.600-610, 2021 (Journal Indexed in ESCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 77
  • Publication Date: 2021
  • Doi Number: 10.1107/s2056989021004655
  • Title of Journal : ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Page Numbers: pp.600-610

Abstract

In the title compound, C22H17N5 center dot CH4O, the imidazolidine ring of the 1,2,3,5,6,7-hexahydroimidazo[1,2-a]pyridine ring system is a twisted envelope, while the 1,2,3,4-tetrahydropyridine ring adopts a twisted boat conformation. In the crystal, pairs of molecules are linked by O-H center dot center dot center dot N and N-H center dot center dot center dot O hydrogen bonds via two methanol molecules, forming a centrosymmetric R-4(4)(16) ring motif. These motifs are connected to each other by C-H center dot center dot center dot N hydrogen bonds and form columns along the a axis. The columns form a stable molecular packing, being connected to each other by van der Waals interactions. A Hirshfeld surface analysis indicates that the most significant contributions to the crystal packing are from H center dot center dot center dot H (43.8%), N center dot center dot center dot H/H center dot center dot center dot N (31.7%) and C center dot center dot center dot H/H center dot center dot center dot C (18.4%) contacts.