摘要
The structure of 3a-(4-chlorophenyl)-1, 5-diphenyl-3a, 4,5,11-te-trahydrq-1, 2, 4-oxadiazolino [5, 4-d][1, 5] benzothiazepine (C28H21N2OClS) has been determined. The compound crystallizes in triclinic space group P1 with two formula units in a cell of dimensions: a =11. 114(2), b = 11. 673(1), c=10. 435(1) (?), α=98. 42(1), β=118. 69(1),γ = 98. 64(1)° and V = 1136. 2(3)(?)3. The structure was solved by using direct methods and refined by full matrix least-squares. The final crystallographic discrepancy factor is 0. 058 for 2384 observed reflections. The molecular backbone is a tricyclic system : The seven-membered hetero ring in the center is in twisted-boat conformation, and is cis-fused to 1, 2, 4-oxadiazolino ring which is in an envelope form, together with the equilaterally adjoined benzene ring . The compound has a non-planar conjugation system.
The structure of 3a-(4-chlorophenyl)-1, 5-diphenyl-3a, 4,5,11-te-trahydrq-1, 2, 4-oxadiazolino [5, 4-d][1, 5] benzothiazepine (C28H21N2OClS) has been determined. The compound crystallizes in triclinic space group P1 with two formula units in a cell of dimensions: a =11. 114(2), b = 11. 673(1), c=10. 435(1) (?), α=98. 42(1), β=118. 69(1),γ = 98. 64(1)° and V = 1136. 2(3)(?)3. The structure was solved by using direct methods and refined by full matrix least-squares. The final crystallographic discrepancy factor is 0. 058 for 2384 observed reflections. The molecular backbone is a tricyclic system : The seven-membered hetero ring in the center is in twisted-boat conformation, and is cis-fused to 1, 2, 4-oxadiazolino ring which is in an envelope form, together with the equilaterally adjoined benzene ring . The compound has a non-planar conjugation system.
