Crystal structure and Hirshfeld surface analysis of (2<SUP>2</SUP>RS,2<SUP>3</SUP>SR,2<SUP>5</SUP>RS,2<SUP>6</SUP>SR)-2<SUP>3</SUP>,2<SUP>5</SUP>,5-trimethyl-2<SUP>1</SUP>-(2,2,2trifluoroacetyl)-5-aza-2(2,6)-piperidina-1,3(2,5)-di- furanacyclohexaphan-24-one

Creative Commons License

Yıldırım S., AKKURT M., Ershova A. A., Grigoriev M. S., Rocha B. G., Bhattarai A.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.79, no.Pt 4, pp.292-296, 2023 (ESCI) identifier identifier identifier

  • Publication Type: Article / Article
  • Volume: 79 Issue: Pt 4
  • Publication Date: 2023
  • Doi Number: 10.1107/s2056989023001986
  • Journal Name: ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS
  • Journal Indexes: Emerging Sources Citation Index (ESCI)
  • Page Numbers: pp.292-296
  • Keywords: crystal structure, twelve-membered, heterocycles, furan, alkylation, piperidon, Hirshfeld surface analysis, Mannich reaction.
  • Erciyes University Affiliated: Yes

Abstract

The title compound, C20H21F3N2O4, features a main twelve-membered difuryl ring with which the furan rings make dihedral angles of 76.14 (5) and 33.81 (5)degrees. The dihedral angle between the furan rings is 42.55 (7)degrees. The six-membered nitrogen heterocycle has a twist-boat conformation. In the crystal, pairs of molecules are connected by intermolecular C-H...O interactions, generating an R-2(2)(14) ring motif. These pairs of molecules form zigzag chains along the aaxis direction by means of C-H...F interactions. Furthermore, C-H... Pi and C-F... Pi interactions link the molecules into chains along the b- axis direction, forming sheets parallel to the (001) plane. These sheets are also connected by van der Waals interactions.