Synthesis and Crystal Structure of 1-（4-Chlorophenyl）-2-cyano-3-amino-3a-hydroxy-3a,3b ,6, 7-te trah y drobenzo[ 4,5]indene

1 INTRODUCTION dimerization of α,β-unsaturated ketones[10]. Herein we discuss the crystal structure of the title compound In the early seventies three groups of investiga- synthesized by the reaction of 2-cyano-3-(4-chloro- tors[1~3] have established that low-valent titanium phenyl)-3-(1-tetralon-2-yl) induced by TiCl4/Zn system. can abstract oxygen from ketones or aldehydes, lead- When 2-cyano-3-(4-chlorophenyl)-3-(1-tetra- lon-2-yl) ing to the formation of olefins. A variety of other…

Synthesis and Crystal Structure of 1-(4-Chlorophenyl)-2-cyano-3-amino-3a-hydroxy-3a,3b,6,7-tetrahydrobenzo[4,5]indene

The title compound 1-(4-chlorophenyl)-2-cyano-3-amino-3a-hydroxy-3a,3b,6,7- tetrahydro-benzo[4,5]indene 2, has been synthesized by the reductive cyclization of 2-cyano-3- (4-chlorophenyl)-3-(1-tetralon-2-yl) propionitrile 1 induced by low-valent titanium reagent and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to monoclinic, space group C2/c with a = 28.244(7), b = 14.401(3), c = 21.245(3)(A), β = 115.71(2)°, V = 7786(3) (A)3, Mr = 696.13, Dc = 1.188 g/cm3, Z = 8, μ(MoKα) = 0.208 mm-1, F(000) = 2916, R = 0.0783 and wR = 0.2350. X-ray analysis reveals that the five-membered ring (C(7)～C(11)) adopts an envelop conformation, while the six-membered ring (C(10)～C(14), C(19)) has a half-chair conformation. Meanwhile, intermolecular H-bond interactions result in the formation of polymer.