The crystal and molecular structure of 4, 5-trans-2-amino-1, 3, 3-tri-cyano-4, 5-di(4-chlorophenyl) cyclopentene. ethanol - monohydrate has been deter-mined by X-ray diffraction method. The crystal (C20H12N4Cl2. C2H6O...The crystal and molecular structure of 4, 5-trans-2-amino-1, 3, 3-tri-cyano-4, 5-di(4-chlorophenyl) cyclopentene. ethanol - monohydrate has been deter-mined by X-ray diffraction method. The crystal (C20H12N4Cl2. C2H6O. H2O, Mr=443. 33) is triclinic with space group P1, a= 11. 033(4), b= 12. 199(3), c= 10. 732(3) A, a=114. 46(2), β=118. 33(3) γ=81. 56(3), V=1155- 1(7) A3, Z=2, Dc= 1. 275g/cm3, μ(MoKa) = 3. 05cm-1, F(000) = 460, R= 0. 070, Rw = 0. 089 for1965 observed reflections (I>3(I)). The phenyl groups are in equatorial positionsand form dihedral angles of 67. 89 and 63. 77° with the central 5-ring. X-ray analysisreveals that in the five membered ring the C (1) -C (2) bond is longer than normal double C=C bond while the C(2) -N (2) bond is shorter than normal C(sp)2-N bond.展开更多
文摘The crystal and molecular structure of 4, 5-trans-2-amino-1, 3, 3-tri-cyano-4, 5-di(4-chlorophenyl) cyclopentene. ethanol - monohydrate has been deter-mined by X-ray diffraction method. The crystal (C20H12N4Cl2. C2H6O. H2O, Mr=443. 33) is triclinic with space group P1, a= 11. 033(4), b= 12. 199(3), c= 10. 732(3) A, a=114. 46(2), β=118. 33(3) γ=81. 56(3), V=1155- 1(7) A3, Z=2, Dc= 1. 275g/cm3, μ(MoKa) = 3. 05cm-1, F(000) = 460, R= 0. 070, Rw = 0. 089 for1965 observed reflections (I>3(I)). The phenyl groups are in equatorial positionsand form dihedral angles of 67. 89 and 63. 77° with the central 5-ring. X-ray analysisreveals that in the five membered ring the C (1) -C (2) bond is longer than normal double C=C bond while the C(2) -N (2) bond is shorter than normal C(sp)2-N bond.
