Acta Crystallographica Section E

Structure Reports Online

Volume 68, Part 12 (December 2012)


organic compounds



hg5269 scheme

Acta Cryst. (2012). E68, o3404-o3405    [ doi:10.1107/S1600536812046909 ]

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

M. G. Gündüz, R. J. Butcher, S. Öztürk Yildirim, A. El-Khouly, C. Safak and R. Simsek

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 R12(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.


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