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
The title compound C35H30Br2O3 （C32H24Br2O2·CH3COCH3） has been synthesized by the dimerization of 2-（4＇-bromobenzal）-1-indenone induced by low-valent titanium reagent, and characterized by elemental analysis...The title compound C35H30Br2O3 （C32H24Br2O2·CH3COCH3） has been synthesized by the dimerization of 2-（4＇-bromobenzal）-1-indenone induced by low-valent titanium reagent, and characterized by elemental analysis, IR,^1H NMR and X-ray single-crystal diffraction. The crystal belongs to triclinic, space group P1^- with a = 10.273（7）, b = 11.036（7）, c = 13.944（9） ,A°, a = 73.972（9）, β =76.577（10）,γ= 88.871（10）°, V = 1476.3（17）A°^3, Mr = 658.41, Z = 2, Dr = 1.481 g/cm^3, μ（MoKa） = 2.780 mm^-1, F（000） = 668, the final R = 0.0452 and wR = 0.0975. X-ray analysis reveals that the two cyclopentane rings spiro-fused each other adopt envelope conformations, while the other cyclopentane ring （C（1）--C（2）-C（7）-C（9）） is coplanar. In addition, there is a classical intermolecular hydrogen bond O（1）-H（1）...O（2） connecting the adjacent molecules into dimers.展开更多
The title compound （C28H19Cl2N） has been synthesized by the reaction of dibenzoylmethane and N-（4-chlorobenzylidene）-4-chlorobenzenamine promoted by low-valent titanium reagent, and characterized by elemental anal...The title compound （C28H19Cl2N） has been synthesized by the reaction of dibenzoylmethane and N-（4-chlorobenzylidene）-4-chlorobenzenamine promoted by low-valent titanium reagent, and characterized by elemental analysis, IR, ^1H NMR and X-ray single-crystal diffraction. The crystal belongs to monoclinic, space group P2 1/C with a = 9.952（2）, b = 9.863（2）, c = 23.460（6） A, β = 99.62（2）°, V = 2270.4（9） A^3, Mr = 440.34, Z = 4, Dc = 1.288 g/cm^3, μ（MoKa） = 0.301 mm^-1, F（000） = 912, the final R = 0.0387 and wR = 0.0793. X-ray analysis reveals that the four phenyl rings in the pyrrole ring are not coplanar.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.
基金This work was supported by the Natural Science Foundation of Jiangsu Education Department (No. 03KJB 150136)
文摘The title compound C35H30Br2O3 （C32H24Br2O2·CH3COCH3） has been synthesized by the dimerization of 2-（4＇-bromobenzal）-1-indenone induced by low-valent titanium reagent, and characterized by elemental analysis, IR,^1H NMR and X-ray single-crystal diffraction. The crystal belongs to triclinic, space group P1^- with a = 10.273（7）, b = 11.036（7）, c = 13.944（9） ,A°, a = 73.972（9）, β =76.577（10）,γ= 88.871（10）°, V = 1476.3（17）A°^3, Mr = 658.41, Z = 2, Dr = 1.481 g/cm^3, μ（MoKa） = 2.780 mm^-1, F（000） = 668, the final R = 0.0452 and wR = 0.0975. X-ray analysis reveals that the two cyclopentane rings spiro-fused each other adopt envelope conformations, while the other cyclopentane ring （C（1）--C（2）-C（7）-C（9）） is coplanar. In addition, there is a classical intermolecular hydrogen bond O（1）-H（1）...O（2） connecting the adjacent molecules into dimers.
基金This work was supported by the Natural Science Foundation of Jiangsu Education Department (No. 03KJB 150136)
文摘The title compound （C28H19Cl2N） has been synthesized by the reaction of dibenzoylmethane and N-（4-chlorobenzylidene）-4-chlorobenzenamine promoted by low-valent titanium reagent, and characterized by elemental analysis, IR, ^1H NMR and X-ray single-crystal diffraction. The crystal belongs to monoclinic, space group P2 1/C with a = 9.952（2）, b = 9.863（2）, c = 23.460（6） A, β = 99.62（2）°, V = 2270.4（9） A^3, Mr = 440.34, Z = 4, Dc = 1.288 g/cm^3, μ（MoKa） = 0.301 mm^-1, F（000） = 912, the final R = 0.0387 and wR = 0.0793. X-ray analysis reveals that the four phenyl rings in the pyrrole ring are not coplanar.
