Synthesis and crystal structure of 1-phenyl-2-cyano-3-amino-3a,3b,6,7-tetrahydrobenzo[4,5]indene

The title compound, 1-phenyl-2-cyano-3-amino-3a,3b,6,7-tetrahydrobenzo[4,5]indene (C20H18N2), has been synthesized by the reductive cyclization of 2-cyano-3-phenyl-3-(1-tetralon-2-yl)propionitrile induced by low-valent titanium reagent and its structure was determined by single-crystal X-ray diffraction. The crystal belongs to triclinic, space group P (1) over bar with a = 9.169(2), b = 9.520(2), c = 10.276(2) Angstrom, alpha = 91.09(1), beta = 107.95(1), gamma = 111.05(2)degrees, V = 787.8(3) Angstrom(3), M-r = 286.36, D-c = 1.207 g/cm(3), Z = 2, mu(MoKalpha) = 0.071 mm(-1), F(000) = 304, R = 0.0399 and wR = 0.1008. X-ray analysis revealed that the five-membered ring (C(7)similar to(11)) adopts an envelope conformation, while the six-membered ring (C(10)similar toC(15)) has a half-chair conformation. Meanwhile, the intermolecular H-bond interaction results in the formation of dimer.