摘要
The crystal structures of 2-methyl-4-methoxy-phenyl [1,5] benzothiazepine (compound A, C_(17)H_(17)NOS, M_r = 283. 4 , D_c = 1. 27 g/cm3 ) and 1-methy1-3a-(4-methoxy-phenyl)-5-phenyl-3a, 4, 5, 11-tetrahydro-1, 2, 4-oxadiazolino [1,5] benzothiazepine (compound B, C_(24)H_(22)N_2O_2S, M_r = 402. 5, D_c=1. 29 g/cm3) were determined using direct methods. The compounds crystallize in space groups P2_1/c and P1 , respectively , with cell dimensions a = 19. 218 (2) b= 6.2815(2), c= 12. 265(2) a,β= 93. 938(1)° , V= 1477. 2(3)A 3 , Z = for compound A and a= 10. 963(1), b= 11. 082 (1), c= 10. 076 (1)A a= 72. 38 (1),β=108.19(1), γ= 115. 16(1)°, V= 1031. 9(2)A 3, Z= 2 for compound B, the final R values are 0. 061 and 0. 057, respectively. The benzothiazepine ring in compound A is in a boat like conformation, while in compound B it assumes a twistboat conformation and the five-membered oxadiazolino ring cis-fused to it is in an envelope form due to the stability of whole system.
