S. Da
2002
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Journal
Chinese Journal of Structural Chemistry
Abstract
The title compound 7, 7-dimethyl-2-(4-bromophenyl)-4-phenyl-5-oxo-1, 4, 5, 6, 7, 8-hexahydro-6H- quinoline (C23H22BrNO) has been synthesized by the reaction of 1-(4-bromophenyl)-3-phenyl-2-propene- 1-one and 5, 5-dimethyl-1, 3-cyclohexanedione in DMF, and its structure was determined by single-crystal X-ray diffraction. The crystal is of monoclinic, space group C2/c with a = 19.687(4), b = 13.571(2), c = 17.311(3) ? b = 118.74(1), Mr = 408.33, V = 4055(1) 3, Dc = 1.338 g/cm3, Z = 8, m(MoKa) = 2.038 cm-1, F(000) = 1680, R = 0.0539 and wR = 0.1369. X-ray analysis reveals that the six-membered ring C(10)~C(13)C(16)C(17) adopts a half-chair conformation: the atoms C(10), C(11), C(12), C(16) and C(17) consist of a plane, while the atom C(13) is away from the plane (0.3282 ?. The dihedrals between the plane and the two phenyl rings are 41.09 and 81.97, and the dihedral between the two phenyl rings is 75.87. In addition, there are intermolecular hydrogen bonds in the product molecule.