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） pro...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/cm^3, 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（l l）） 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.展开更多
基金This work was supported by the Education Committee Natural Science Foundation (No. 03KJB 150136).
文摘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/cm^3, 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（l l）） 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.
