Ethyl 4-(5-bromo-1H-indol-3-yl)-2,6,6-trimethyl-5-oxo-1,4,5,6,7,8- hexahydroquinoline-3-carboxylate


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GÜNDÜZ M. G. , Butcher R. J. , YILDIRIM S. , El-Khouly A., Şafak C., ŞİMŞEK R.

Acta Crystallographica Section E: Structure Reports Online, vol.68, no.12, 2012 (Journal Indexed in SCI Expanded) identifier identifier

  • Publication Type: Article / Article
  • Volume: 68 Issue: 12
  • Publication Date: 2012
  • Doi Number: 10.1107/s1600536812046909
  • Title of Journal : Acta Crystallographica Section E: Structure Reports Online

Abstract

The title compound, C23H25BrN2O3, crystallizes with two independent molecules in the asymmetric unit (Z′ = 2) which differ in the twist of the 5-bromo-1H-indole ring with respect to the plane of the 4-methyl-1,4,5,6,7,8- hexahydroquinoline ring [dihedral angles of 78.55 (9) and 89.70 (8)°in molecules A and B, respectively]. The indole ring is planar in both molecules [maximum deviations = 0.021 (3) and -0.020 (3) Å for the N atom] while the cyclohexene ring has adopts a sofa conformation. In the crystal, molecules are linked by pairs of N-H⋯O hydrogen bonds, forming dimers with R 1 2(6) ring motifs. These dimers are connected by N-H⋯O hydrogen bonds, generating chains along [110]. A C-H⋯O contact occurs between the independent molecules.