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. O., El-Khouly A., Safak C., ŞİMŞEK R.

ACTA CRYSTALLOGRAPHICA SECTION E-CRYSTALLOGRAPHIC COMMUNICATIONS, vol.68, 2012 (ESCI) identifier identifier

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)(circle) in molecules A and B, respectively]. The indole ring is planar in both molecules [maximum deviations = 0.021 (3) and -0.020 (3) angstrom 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 NH...O hydrogen bonds, generating chains along [110]. A CH...O contact occurs between the independent molecules.